N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide

C21H17N3O3S — CID 56569842

IUPACN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide
SMILESCCc1ccc(-c2cc(NC(=O)c3ccc(-c4cccs4)[nH]c3=O)on2)cc1
InChIInChI=1S/C21H17N3O3S/c1-2-13-5-7-14(8-6-13)17-12-19(27-24-17)23-21(26)15-9-10-16(22-20(15)25)18-4-3-11-28-18/h3-12H,2H2,1H3,(H,22,25)(H,23,26)
InChIKeyQLKLYQQECJZELF-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.57
Rot. Bonds5

About N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide

N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide (PubChem CID 56569842) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide
PubChem CID56569842
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide
SMILESCCc1ccc(-c2cc(NC(=O)c3ccc(-c4cccs4)[nH]c3=O)on2)cc1
InChIInChI=1S/C21H17N3O3S/c1-2-13-5-7-14(8-6-13)17-12-19(27-24-17)23-21(26)15-9-10-16(22-20(15)25)18-4-3-11-28-18/h3-12H,2H2,1H3,(H,22,25)(H,23,26)
InChIKeyQLKLYQQECJZELF-UHFFFAOYSA-N
XLogP4.57
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 52636195
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide
CID 56569806
5-bromo-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methylfuran-2-carboxamide
CID 56570434
4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56529985
3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56530069
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 56530199
N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]thiophene-2-carboxamide
CID 35342222
5-bromo-N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 56544732
2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide
CID 56569965
N-[(1R)-2-methyl-1-phenylpropyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide
CID 95047719
3-(2,4-dioxoquinazolin-1-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide
CID 56544822
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 56569903

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide (CID 56569842) is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide is CCc1ccc(-c2cc(NC(=O)c3ccc(-c4cccs4)[nH]c3=O)on2)cc1.
What is the InChIKey of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is QLKLYQQECJZELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-2-13-5-7-14(8-6-13)17-12-19(27-24-17)23-21(26)15-9-10-16(22-20(15)25)18-4-3-11-28-18/h3-12H,2H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide?
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56569842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).