1-(1,3-benzoxazol-2-yl)piperidine-2-carboxylic acid

1-(1,3-benzoxazol-2-yl)piperidine-2-carboxylic acid

CAS: 1169873-86-2

Formula: C13H14N2O3

SMILES: OC(=O)C1CCCCN1C1=NC2=CC=CC=C2O1

IUPAC: 1-(1,3-benzoxazol-2-yl)piperidine-2-carboxylic acid

InChI: InChI=1/C13H14N2O3/c16-12(17)10-6-3-4-8-15(10)13-14-9-5-1-2-7-11(9)18-13/h1-2,5,7,10H,3-4,6,8H2,(H,16,17)

Composition: C (63.40%), H (5.73%), N (11.38%), O (19.49%)

Molar Mass: 246.266

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	246.100442319
Formal Charge	0
FSP3	0.38
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WXTUPZCUXANAJB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.6
Topological Polar Surface Area	66.57
Polarizability	25.8
Ring Count	3
Rotatable Bond Count	2

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