N-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide

C15H13N3O2S — CID 46492404

IUPACN-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCN(Cc1ccsc1)C(=O)c1cc(-c2cccnc2)on1
InChIInChI=1S/C15H13N3O2S/c1-18(9-11-4-6-21-10-11)15(19)13-7-14(20-17-13)12-3-2-5-16-8-12/h2-8,10H,9H2,1H3
InChIKeyXLOORGYECWJUKT-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.07
Rot. Bonds4

About N-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide

N-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 46492404) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID46492404
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCN(Cc1ccsc1)C(=O)c1cc(-c2cccnc2)on1
InChIInChI=1S/C15H13N3O2S/c1-18(9-11-4-6-21-10-11)15(19)13-7-14(20-17-13)12-3-2-5-16-8-12/h2-8,10H,9H2,1H3
InChIKeyXLOORGYECWJUKT-UHFFFAOYSA-N
XLogP3.07
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 119660427
5-pyridin-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 55756186
N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 39428449
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56705841
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 94237762
N-methyl-N-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 75395584
(4-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 17253092
N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 6621305
6-amino-N-methyl-N-(thiophen-3-ylmethyl)pyridazine-3-carboxamide
CID 62155302
2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63615237
N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986105

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 46492404) is N-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide is CN(Cc1ccsc1)C(=O)c1cc(-c2cccnc2)on1.
What is the InChIKey of N-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XLOORGYECWJUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-18(9-11-4-6-21-10-11)15(19)13-7-14(20-17-13)12-3-2-5-16-8-12/h2-8,10H,9H2,1H3.
What are the key properties of N-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide?
N-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46492404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).