2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxolan-2-ylmethyl)acetamide

C14H16N2O3S — CID 3653012

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)NCC1CCCO1
InChIInChI=1S/C14H16N2O3S/c17-13(15-8-10-4-3-7-18-10)9-20-14-16-11-5-1-2-6-12(11)19-14/h1-2,5-6,10H,3-4,7-9H2,(H,15,17)
InChIKeyGITSQMMBQGUCMT-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.22
Rot. Bonds5

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxolan-2-ylmethyl)acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3653012) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3653012
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)NCC1CCCO1
InChIInChI=1S/C14H16N2O3S/c17-13(15-8-10-4-3-7-18-10)9-20-14-16-11-5-1-2-6-12(11)19-14/h1-2,5-6,10H,3-4,7-9H2,(H,15,17)
InChIKeyGITSQMMBQGUCMT-UHFFFAOYSA-N
XLogP2.22
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

L 696040
CID 131887
1-(Benzoxazol-2-ylthio)-propan-2-one
CID 539510
2-(Methylthio)benzoxazole
CID 4178773
3-(1,3-benzoxazol-2-ylmethylamino)-6-methyl-5-methylsulfanyl-1H-pyridin-2-one
CID 454432
3-(1,3-benzoxazol-2-ylmethylamino)-5-ethylsulfanyl-6-methyl-1H-pyridin-2-one
CID 454433
3-(1,3-benzoxazol-2-ylmethylamino)-5-ethyl-4,6-dimethyl-1H-pyridin-2-one
CID 454434
(1R,2R)-2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 9967252
2-(1,3-Benzoxazol-2-ylsulfanyl)acetonitrile
CID 2819294
2-(2-Benzoxazol-2-ylthioethoxy)-1-fluorobenzene
CID 2256886
3-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylpropanamide
CID 714637
2(1H)-Pyridinone, 5-ethyl-3-(((5-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-
CID 454409
Butyl 1,3-benzoxazol-2-ylsulfanylformate
CID 2202888

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxolan-2-ylmethyl)acetamide (CID 3653012) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxolan-2-ylmethyl)acetamide is O=C(CSc1nc2ccccc2o1)NCC1CCCO1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is GITSQMMBQGUCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-13(15-8-10-4-3-7-18-10)9-20-14-16-11-5-1-2-6-12(11)19-14/h1-2,5-6,10H,3-4,7-9H2,(H,15,17).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxolan-2-ylmethyl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 292.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3653012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).