5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide

C15H13N3O2S — CID 91630166

IUPAC5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccnc2-c2ccsc2)no1
InChIInChI=1S/C15H13N3O2S/c1-10-7-13(18-20-10)15(19)17-8-11-3-2-5-16-14(11)12-4-6-21-9-12/h2-7,9H,8H2,1H3,(H,17,19)
InChIKeyPHUVQBCHPXLILA-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.04
Rot. Bonds4

About 5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 91630166) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID91630166
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccnc2-c2ccsc2)no1
InChIInChI=1S/C15H13N3O2S/c1-10-7-13(18-20-10)15(19)17-8-11-3-2-5-16-14(11)12-4-6-21-9-12/h2-7,9H,8H2,1H3,(H,17,19)
InChIKeyPHUVQBCHPXLILA-UHFFFAOYSA-N
XLogP3.04
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 91630266
4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 121177843
4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 121177628
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 121177783
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 121177637
1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 91630267
2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 91630201
5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 2971561
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 91630191
6-ethoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 91630264
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-6-carboxamide
CID 121177736
2-naphthalen-2-yloxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 121177728

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide (CID 91630166) is 5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCc2cccnc2-c2ccsc2)no1.
What is the InChIKey of 5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is PHUVQBCHPXLILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-10-7-13(18-20-10)15(19)17-8-11-3-2-5-16-14(11)12-4-6-21-9-12/h2-7,9H,8H2,1H3,(H,17,19).
What are the key properties of 5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91630166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).