2-[(3aS,8aR)-3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-2-yl]pyrimidine

2-[(3aS,8aR)-3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-2-yl]pyrimidine

CAS: 2634687-67-3

Formula: C14H11N3O

SMILES: C1[C@H]2OC(=N[C@H]2C2=C1C=CC=C2)C1=NC=CC=N1

IUPAC: 2-[(3aS,8aR)-3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-2-yl]pyrimidine

InChI: InChI=1S/C14H11N3O/c1-2-5-10-9(4-1)8-11-12(10)17-14(18-11)13-15-6-3-7-16-13/h1-7,11-12H,8H2/t11-,12+/m1/s1

Composition: C (70.87%), H (4.67%), N (17.71%), O (6.74%)

Molar Mass: 237.262

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	237.090211986
Formal Charge	0
FSP3	0.21
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	NCBUCRJRQQJEEL-NEPJUHHUSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.92
Topological Polar Surface Area	47.37
Polarizability	25.37
Ring Count	4
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	2634687-67-3		$118.53-$809.56$118.53$161.41$273.64$809.56