N-(4-fluoro-2-methoxyphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

C20H19FN2O3 — CID 86986097

IUPACN-(4-fluoro-2-methoxyphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCOc1cc(F)ccc1NC(=O)CCCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C20H19FN2O3/c1-25-17-12-15(21)10-11-16(17)23-19(24)8-5-9-20-22-13-18(26-20)14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,23,24)
InChIKeyVLEKGFJIWKJDKX-UHFFFAOYSA-N
MW354.38 g/mol
LogP4.45
Rot. Bonds7

About N-(4-fluoro-2-methoxyphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

N-(4-fluoro-2-methoxyphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (PubChem CID 86986097) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
PubChem CID86986097
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCOc1cc(F)ccc1NC(=O)CCCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C20H19FN2O3/c1-25-17-12-15(21)10-11-16(17)23-19(24)8-5-9-20-22-13-18(26-20)14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,23,24)
InChIKeyVLEKGFJIWKJDKX-UHFFFAOYSA-N
XLogP4.45
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38898960
N-[4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 16594505
N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51309889
N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
N-(5-bromo-2-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55905133
N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38932262
3-(5-phenyl-1,3-oxazol-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 16590579
methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate
CID 38886699
N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 33308762
5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide
CID 54967245
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 33373655
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (CID 86986097) is N-(4-fluoro-2-methoxyphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is COc1cc(F)ccc1NC(=O)CCCc1ncc(-c2ccccc2)o1.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The InChIKey is VLEKGFJIWKJDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-25-17-12-15(21)10-11-16(17)23-19(24)8-5-9-20-22-13-18(26-20)14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,23,24).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
N-(4-fluoro-2-methoxyphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 354.38 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 86986097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).