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N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyridin-2-ylsulfanylpropanamide

C15H13N3O3S — CID 75425455

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyridin-2-ylsulfanylpropanamide
SMILESO=C(CCSc1ccccn1)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C15H13N3O3S/c19-13(6-8-22-14-3-1-2-7-16-14)17-10-4-5-12-11(9-10)18-15(20)21-12/h1-5,7,9H,6,8H2,(H,17,19)(H,18,20)
InChIKeyXOKGLZTXUIAYCV-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.64
Rot. Bonds5

About N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyridin-2-ylsulfanylpropanamide

N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyridin-2-ylsulfanylpropanamide (PubChem CID 75425455) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyridin-2-ylsulfanylpropanamide
PubChem CID75425455
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyridin-2-ylsulfanylpropanamide
SMILESO=C(CCSc1ccccn1)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C15H13N3O3S/c19-13(6-8-22-14-3-1-2-7-16-14)17-10-4-5-12-11(9-10)18-15(20)21-12/h1-5,7,9H,6,8H2,(H,17,19)(H,18,20)
InChIKeyXOKGLZTXUIAYCV-UHFFFAOYSA-N
XLogP2.64
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyridin-2-ylsulfanylpropanamide (CID 75425455) is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyridin-2-ylsulfanylpropanamide is O=C(CCSc1ccccn1)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyridin-2-ylsulfanylpropanamide?
The InChIKey is XOKGLZTXUIAYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c19-13(6-8-22-14-3-1-2-7-16-14)17-10-4-5-12-11(9-10)18-15(20)21-12/h1-5,7,9H,6,8H2,(H,17,19)(H,18,20).
What are the key properties of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyridin-2-ylsulfanylpropanamide?
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyridin-2-ylsulfanylpropanamide has a molecular weight of 315.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 75425455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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