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

C15H13N3O2S — CID 46093867

IUPAC3-methyl-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccncc2)c1C(=O)NCc1cccs1
InChIInChI=1S/C15H13N3O2S/c1-10-13(15(19)17-9-12-3-2-8-21-12)14(20-18-10)11-4-6-16-7-5-11/h2-8H,9H2,1H3,(H,17,19)
InChIKeyMZZYFTKVDVUZIK-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.04
Rot. Bonds4

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

3-methyl-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 46093867) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 3-methyl-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID46093867
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name3-methyl-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccncc2)c1C(=O)NCc1cccs1
InChIInChI=1S/C15H13N3O2S/c1-10-13(15(19)17-9-12-3-2-8-21-12)14(20-18-10)11-4-6-16-7-5-11/h2-8H,9H2,1H3,(H,17,19)
InChIKeyMZZYFTKVDVUZIK-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

3-methyl-N-(2-propoxyethyl)-5-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 46097017
3-methyl-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 166330669
3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 17173767
3-methyl-6-propan-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831688
3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645421
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
5-(4-tert-butylphenyl)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 46096938
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 110128983
3-methyl-N-(3-phenylpropyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46096812
N-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46096966
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46097006

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide (CID 46093867) is 3-methyl-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide is Cc1noc(-c2ccncc2)c1C(=O)NCc1cccs1.
What is the InChIKey of 3-methyl-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is MZZYFTKVDVUZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-10-13(15(19)17-9-12-3-2-8-21-12)14(20-18-10)11-4-6-16-7-5-11/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of 3-methyl-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
3-methyl-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-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 3-methyl-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46093867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).