5-(morpholin-4-ylmethyl)-1,3-benzoxazole-2-thiol

5-(morpholin-4-ylmethyl)-1,3-benzoxazole-2-thiol

CAS: 1071296-54-2

Formula: C12H14N2O2S

SMILES: SC1=NC2=CC(CN3CCOCC3)=CC=C2O1

IUPAC: 5-[(morpholin-4-yl)methyl]-1,3-benzoxazole-2-thiol

InChI: InChI=1S/C12H14N2O2S/c17-12-13-10-7-9(1-2-11(10)16-12)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8H2,(H,13,17)

Composition: C (57.58%), H (5.64%), N (11.19%), O (12.78%), S (12.81%)

Molar Mass: 250.32

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	250.077598873
Formal Charge	0
FSP3	0.42
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LDFBAAFSYWEZIQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.82
Topological Polar Surface Area	38.5
Polarizability	27.6
Ring Count	3
Rotatable Bond Count	2

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