2-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide

C18H13N3O2S — CID 134798293

IUPAC2-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C18H13N3O2S/c22-17(20-11-14-2-1-9-24-14)13-3-4-16-15(10-13)21-18(23-16)12-5-7-19-8-6-12/h1-10H,11H2,(H,20,22)
InChIKeyOGMGQSJLVQRBJF-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.88
Rot. Bonds4

About 2-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide

2-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 134798293) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide
PubChem CID134798293
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name2-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C18H13N3O2S/c22-17(20-11-14-2-1-9-24-14)13-3-4-16-15(10-13)21-18(23-16)12-5-7-19-8-6-12/h1-10H,11H2,(H,20,22)
InChIKeyOGMGQSJLVQRBJF-UHFFFAOYSA-N
XLogP3.88
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide (CID 134798293) is 2-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide is O=C(NCc1cccs1)c1ccc2oc(-c3ccncc3)nc2c1.
What is the InChIKey of 2-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is OGMGQSJLVQRBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c22-17(20-11-14-2-1-9-24-14)13-3-4-16-15(10-13)21-18(23-16)12-5-7-19-8-6-12/h1-10H,11H2,(H,20,22).
What are the key properties of 2-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide?
2-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 134798293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).