3-fluoro-4-methyl-5-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]benzamide

C20H18FN3O3 — CID 55784491

IUPAC3-fluoro-4-methyl-5-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]benzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C20H18FN3O3/c1-12-15(21)9-14(20(22)26)10-16(12)24-18(25)7-8-19-23-11-17(27-19)13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H2,22,26)(H,24,25)
InChIKeyQBDGKGIRPHAWQH-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.46
Rot. Bonds6

About 3-fluoro-4-methyl-5-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]benzamide

3-fluoro-4-methyl-5-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]benzamide (PubChem CID 55784491) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 3-fluoro-4-methyl-5-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-5-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]benzamide
PubChem CID55784491
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name3-fluoro-4-methyl-5-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]benzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C20H18FN3O3/c1-12-15(21)9-14(20(22)26)10-16(12)24-18(25)7-8-19-23-11-17(27-19)13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H2,22,26)(H,24,25)
InChIKeyQBDGKGIRPHAWQH-UHFFFAOYSA-N
XLogP3.46
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370
N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51309889
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
N-(2,4-dibromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16591578
N-(5-fluoro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356754
3-(5-phenyl-1,3-oxazol-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78837843
N-(3-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590292
N-[4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 16594505
N-(2,4-dimethylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17438164
N-(5-bromo-2-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55905133
N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-5-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]benzamide?
The IUPAC name of 3-fluoro-4-methyl-5-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]benzamide (CID 55784491) is 3-fluoro-4-methyl-5-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-5-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-5-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]benzamide is Cc1c(F)cc(C(N)=O)cc1NC(=O)CCc1ncc(-c2ccccc2)o1.
What is the InChIKey of 3-fluoro-4-methyl-5-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]benzamide?
The InChIKey is QBDGKGIRPHAWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-12-15(21)9-14(20(22)26)10-16(12)24-18(25)7-8-19-23-11-17(27-19)13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H2,22,26)(H,24,25).
What are the key properties of 3-fluoro-4-methyl-5-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]benzamide?
3-fluoro-4-methyl-5-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]benzamide has a molecular weight of 367.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-5-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]benzamide is sourced from PubChem (CID 55784491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).