3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide

C16H15ClF3N3O3 — CID 113135801

IUPAC3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1cc(C)on1
InChIInChI=1S/C16H15ClF3N3O3/c1-9-7-14(22-26-9)23(10(2)24)6-5-15(25)21-13-8-11(16(18,19)20)3-4-12(13)17/h3-4,7-8H,5-6H2,1-2H3,(H,21,25)
InChIKeyFWMDHLWQHUJQAV-UHFFFAOYSA-N
MW389.76 g/mol
LogP4.04
Rot. Bonds5

About 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide

3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 113135801) has the molecular formula C16H15ClF3N3O3 and a molecular weight of 389.76 g/mol. Its IUPAC name is 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
PubChem CID113135801
Molecular FormulaC16H15ClF3N3O3
Molecular Weight389.76 g/mol
Exact Mass389.08
IUPAC Name3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1cc(C)on1
InChIInChI=1S/C16H15ClF3N3O3/c1-9-7-14(22-26-9)23(10(2)24)6-5-15(25)21-13-8-11(16(18,19)20)3-4-12(13)17/h3-4,7-8H,5-6H2,1-2H3,(H,21,25)
InChIKeyFWMDHLWQHUJQAV-UHFFFAOYSA-N
XLogP4.04
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.76
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113135846
3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 113115861
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-difluorophenyl)propanamide
CID 113135844
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-acetylphenyl)propanamide
CID 113135794
3-[acetyl(furan-2-ylmethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 113118133
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113135759
4-(4-chloro-3-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 19191291
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-acetylphenyl)propanamide
CID 113135793
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-bromo-4-methylphenyl)propanamide
CID 113135778
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113135819
2-[acetyl(3-methoxypropyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113160139

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide (CID 113135801) is 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide is CC(=O)N(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1cc(C)on1.
What is the InChIKey of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FWMDHLWQHUJQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O3/c1-9-7-14(22-26-9)23(10(2)24)6-5-15(25)21-13-8-11(16(18,19)20)3-4-12(13)17/h3-4,7-8H,5-6H2,1-2H3,(H,21,25).
What are the key properties of 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 389.76 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 113135801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).