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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Related Compounds

N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 25188505
2-(2-fluorobenzyl)-N-[2-(2-pyridinyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24816611
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 1114156
N-[1-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide
CID 56924986
(2-Phenyl-1,3-benzoxazol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840610
N-[2-(4-pyridinyl)-1,3-benzoxazol-5-yl]-2-thiophenecarboxamide
CID 714050
N-(4-Benzooxazol-2-yl-phenyl)-nicotinamide
CID 778969
2-(2-fluorobenzyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-carboxamide
CID 24790230
2-cyclohexyl-N-(2-pyridinylmethyl)-1,3-benzoxazole-6-carboxamide
CID 24817675
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 44522135
6-Methyl-2-pyridin-3-yl-1,3-benzoxazole
CID 829823
N-[3-(1,3-benzoxazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide
CID 46925888

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).