2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide

C19H15N3O3S — CID 91630334

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCc1ccnc(-c2cccs2)c1
InChIInChI=1S/C19H15N3O3S/c23-18(12-22-15-4-1-2-5-16(15)25-19(22)24)21-11-13-7-8-20-14(10-13)17-6-3-9-26-17/h1-10H,11-12H2,(H,21,23)
InChIKeyGISLTKMABHWBFD-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.03
Rot. Bonds5

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide (PubChem CID 91630334) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide
PubChem CID91630334
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCc1ccnc(-c2cccs2)c1
InChIInChI=1S/C19H15N3O3S/c23-18(12-22-15-4-1-2-5-16(15)25-19(22)24)21-11-13-7-8-20-14(10-13)17-6-3-9-26-17/h1-10H,11-12H2,(H,21,23)
InChIKeyGISLTKMABHWBFD-UHFFFAOYSA-N
XLogP3.03
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide (CID 91630334) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide is O=C(Cn1c(=O)oc2ccccc21)NCc1ccnc(-c2cccs2)c1.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide?
The InChIKey is GISLTKMABHWBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c23-18(12-22-15-4-1-2-5-16(15)25-19(22)24)21-11-13-7-8-20-14(10-13)17-6-3-9-26-17/h1-10H,11-12H2,(H,21,23).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide has a molecular weight of 365.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 91630334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).