2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-6-carboxamide

C18H13N3O2S — CID 134798650

IUPAC2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2nc(-c3cccnc3)oc2c1
InChIInChI=1S/C18H13N3O2S/c22-17(20-11-14-4-2-8-24-14)12-5-6-15-16(9-12)23-18(21-15)13-3-1-7-19-10-13/h1-10H,11H2,(H,20,22)
InChIKeySZPLIPZFVFYVRQ-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.88
Rot. Bonds4

About 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-6-carboxamide

2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 134798650) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-6-carboxamide
PubChem CID134798650
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2nc(-c3cccnc3)oc2c1
InChIInChI=1S/C18H13N3O2S/c22-17(20-11-14-4-2-8-24-14)12-5-6-15-16(9-12)23-18(21-15)13-3-1-7-19-10-13/h1-10H,11H2,(H,20,22)
InChIKeySZPLIPZFVFYVRQ-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-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-6-carboxamide (CID 134798650) is 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-6-carboxamide is O=C(NCc1cccs1)c1ccc2nc(-c3cccnc3)oc2c1.
What is the InChIKey of 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is SZPLIPZFVFYVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c22-17(20-11-14-4-2-8-24-14)12-5-6-15-16(9-12)23-18(21-15)13-3-1-7-19-10-13/h1-10H,11H2,(H,20,22).
What are the key properties of 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-6-carboxamide?
2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-6-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-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 134798650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).