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

C19H15N3O3S — CID 91630196

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCc1cccnc1-c1ccsc1
InChIInChI=1S/C19H15N3O3S/c23-17(11-22-15-5-1-2-6-16(15)25-19(22)24)21-10-13-4-3-8-20-18(13)14-7-9-26-12-14/h1-9,12H,10-11H2,(H,21,23)
InChIKeyOSBYIANLCIAQMA-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.03
Rot. Bonds5

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

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide (PubChem CID 91630196) 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-3-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide
PubChem CID91630196
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCc1cccnc1-c1ccsc1
InChIInChI=1S/C19H15N3O3S/c23-17(11-22-15-5-1-2-6-16(15)25-19(22)24)21-10-13-4-3-8-20-18(13)14-7-9-26-12-14/h1-9,12H,10-11H2,(H,21,23)
InChIKeyOSBYIANLCIAQMA-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-3-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide (CID 91630196) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide is O=C(Cn1c(=O)oc2ccccc21)NCc1cccnc1-c1ccsc1.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is OSBYIANLCIAQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c23-17(11-22-15-5-1-2-6-16(15)25-19(22)24)21-10-13-4-3-8-20-18(13)14-7-9-26-12-14/h1-9,12H,10-11H2,(H,21,23).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-thiophen-3-yl-3-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-3-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 91630196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).