2-[5-[(4-fluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]benzamide

C20H13FN4O3S — CID 174460784

IUPAC2-[5-[(4-fluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]benzamide
SMILESNC(=O)c1ccccc1-c1c(-c2nccs2)noc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H13FN4O3S/c21-12-7-5-11(6-8-12)18(27)24-19-15(13-3-1-2-4-14(13)17(22)26)16(25-28-19)20-23-9-10-29-20/h1-10H,(H2,22,26)(H,24,27)
InChIKeyOJZBIUOHISMLHA-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.96
Rot. Bonds5

About 2-[5-[(4-fluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]benzamide

2-[5-[(4-fluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]benzamide (PubChem CID 174460784) has the molecular formula C20H13FN4O3S and a molecular weight of 408.41 g/mol. Its IUPAC name is 2-[5-[(4-fluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]benzamide.

Molecular Properties

Compound Name2-[5-[(4-fluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]benzamide
PubChem CID174460784
Molecular FormulaC20H13FN4O3S
Molecular Weight408.41 g/mol
Exact Mass408.07
IUPAC Name2-[5-[(4-fluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]benzamide
SMILESNC(=O)c1ccccc1-c1c(-c2nccs2)noc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H13FN4O3S/c21-12-7-5-11(6-8-12)18(27)24-19-15(13-3-1-2-4-14(13)17(22)26)16(25-28-19)20-23-9-10-29-20/h1-10H,(H2,22,26)(H,24,27)
InChIKeyOJZBIUOHISMLHA-UHFFFAOYSA-N
XLogP3.96
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US11306078, Example 1.051
CID 141678175
5-Phenyl-N-(3-(thiazol-2-yl)propyl)isoxazole-3-carboxamide
CID 155387479
2-{2-[3-(5-Fluoro-pyridin-2-yl)-5-methyl-isoxazol-4-yl]-ethyl}-thiazole-5-carboxylic acid ethylamide
CID 49782710
2-{2-[3-(5-Fluoro-pyridin-2-yl)-5-methyl-isoxazol-4-yl]-ethyl}-thiazole-5-carboxylic acid methylamide
CID 49782711
2-[2-(5-Methyl-3-pyridin-2-yl-isoxazol-4-yl)-ethyl]-thiazole-5-carboxylic acid (2,2,2-trifluoro-ethyl)-amide
CID 49783338
2-{(E)-2-[3-(5-Fluoro-pyridin-2-yl)-5-methyl-isoxazol-4-yl]-vinyl}-thiazole-5-carboxylic acid ethylamide
CID 49783340
2-{2-[3-(5-Fluoro-pyridin-2-yl)-5-methyl-isoxazol-4-yl]-ethyl}-thiazole-5-carboxylic acid isopropylamide
CID 59568511
2-{(E)-2-[3-(5-Fluoro-pyridin-2-yl)-5-methyl-isoxazol-4-yl]-vinyl}-thiazole-5-carboxylic acid methylamide
CID 59568517
2-{2-[3-(5-Fluoro-pyridin-2-yl)-5-methyl-isoxazol-4-yl]-ethyl}-thiazole-5-carboxylic acid (2,2,2-trifluoro-ethyl)-amide
CID 59568524
2-{(E)-2-[3-(5-Fluoro-pyridin-2-yl)-5-methyl-isoxazol-4-yl]-vinyl}-thiazole-5-carboxylic acid amide
CID 59568533
2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide
CID 66643295
2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N-propyl-1,3-thiazole-5-carboxamide
CID 66643537

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]benzamide?
The IUPAC name of 2-[5-[(4-fluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]benzamide (CID 174460784) is 2-[5-[(4-fluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]benzamide.
What is the SMILES notation for 2-[5-[(4-fluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]benzamide?
The canonical SMILES for 2-[5-[(4-fluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]benzamide is NC(=O)c1ccccc1-c1c(-c2nccs2)noc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[5-[(4-fluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]benzamide?
The InChIKey is OJZBIUOHISMLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O3S/c21-12-7-5-11(6-8-12)18(27)24-19-15(13-3-1-2-4-14(13)17(22)26)16(25-28-19)20-23-9-10-29-20/h1-10H,(H2,22,26)(H,24,27).
What are the key properties of 2-[5-[(4-fluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]benzamide?
2-[5-[(4-fluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]benzamide has a molecular weight of 408.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]benzamide is sourced from PubChem (CID 174460784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).