N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C17H15FN2O3 — CID 4822275

IUPACN-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(F)cc1
InChIInChI=1S/C17H15FN2O3/c18-12-7-9-13(10-8-12)19-16(21)6-3-11-20-14-4-1-2-5-15(14)23-17(20)22/h1-2,4-5,7-10H,3,6,11H2,(H,19,21)
InChIKeyHNYCQRIZGYNZBU-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.15
Rot. Bonds5

About N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 4822275) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID4822275
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC NameN-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(F)cc1
InChIInChI=1S/C17H15FN2O3/c18-12-7-9-13(10-8-12)19-16(21)6-3-11-20-14-4-1-2-5-15(14)23-17(20)22/h1-2,4-5,7-10H,3,6,11H2,(H,19,21)
InChIKeyHNYCQRIZGYNZBU-UHFFFAOYSA-N
XLogP3.15
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide
CID 7741918
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907341
ethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate
CID 4805932
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 9410020
N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42370403
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
CID 46578619
N-(2,3-dihydro-1H-inden-5-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822337
N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822292
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 24514497
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
CID 7779812
N-(2-methyl-1,3-benzothiazol-6-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4782954
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55504169

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 4822275) is N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is HNYCQRIZGYNZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c18-12-7-9-13(10-8-12)19-16(21)6-3-11-20-14-4-1-2-5-15(14)23-17(20)22/h1-2,4-5,7-10H,3,6,11H2,(H,19,21).
What are the key properties of N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 314.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 4822275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).