N-(6-benzamido-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

C20H14N4O3S — CID 75467874

IUPACN-(6-benzamido-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ncoc2-c2cccs2)cn1)c1ccccc1
InChIInChI=1S/C20H14N4O3S/c25-19(13-5-2-1-3-6-13)24-16-9-8-14(11-21-16)23-20(26)17-18(27-12-22-17)15-7-4-10-28-15/h1-12H,(H,23,26)(H,21,24,25)
InChIKeyVIAOFFIXBKOLDK-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.30
Rot. Bonds5

About N-(6-benzamido-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-(6-benzamido-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 75467874) has the molecular formula C20H14N4O3S and a molecular weight of 390.42 g/mol. Its IUPAC name is N-(6-benzamido-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-benzamido-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID75467874
Molecular FormulaC20H14N4O3S
Molecular Weight390.42 g/mol
Exact Mass390.08
IUPAC NameN-(6-benzamido-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ncoc2-c2cccs2)cn1)c1ccccc1
InChIInChI=1S/C20H14N4O3S/c25-19(13-5-2-1-3-6-13)24-16-9-8-14(11-21-16)23-20(26)17-18(27-12-22-17)15-7-4-10-28-15/h1-12H,(H,23,26)(H,21,24,25)
InChIKeyVIAOFFIXBKOLDK-UHFFFAOYSA-N
XLogP4.30
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 20963618
N-(2-carbamoylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 16672225
N-(3-fluoro-4-methylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 46347104
N-(3-ethylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 46347103
N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide
CID 1449478
N-[4-(1-morpholin-4-ylethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 75463337
N-(2-aminoethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 19768665
5-thiophen-2-yl-N-[(1R,4R)-1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-yl]-1,3-oxazole-4-carboxamide
CID 7451570
2-[(6-benzamido-3-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 167935918
N-[5-(benzylamino)-2-pyridinyl]benzamide
CID 113026368
N-[3-carbamoyl-4-(2-methylpiperidin-1-yl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 110219072
N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzamide
CID 113037667

Frequently Asked Questions

What is the IUPAC name of N-(6-benzamido-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(6-benzamido-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 75467874) is N-(6-benzamido-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-benzamido-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(6-benzamido-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(NC(=O)c2ncoc2-c2cccs2)cn1)c1ccccc1.
What is the InChIKey of N-(6-benzamido-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is VIAOFFIXBKOLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O3S/c25-19(13-5-2-1-3-6-13)24-16-9-8-14(11-21-16)23-20(26)17-18(27-12-22-17)15-7-4-10-28-15/h1-12H,(H,23,26)(H,21,24,25).
What are the key properties of N-(6-benzamido-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-(6-benzamido-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-benzamido-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 75467874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).