N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C19H19FN2O3 — CID 9410020

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESC[C@H](NC(=O)CCCn1c(=O)oc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3/c1-13(14-8-10-15(20)11-9-14)21-18(23)7-4-12-22-16-5-2-3-6-17(16)25-19(22)24/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyKCTWRTWTTVIIIL-ZDUSSCGKSA-N
MW342.37 g/mol
LogP3.39
Rot. Bonds6

About N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 9410020) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID9410020
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESC[C@H](NC(=O)CCCn1c(=O)oc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3/c1-13(14-8-10-15(20)11-9-14)21-18(23)7-4-12-22-16-5-2-3-6-17(16)25-19(22)24/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyKCTWRTWTTVIIIL-ZDUSSCGKSA-N
XLogP3.39
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18190294
N-[1-(3,4-difluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 17413824
N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822275
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42888994
N-[1-(4-ethylphenyl)-2-methylpropyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18198629
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
CID 7779812
N-[(1R)-1-(4-methylphenyl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 9296847
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55747220
4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenylethyl)butanamide
CID 51210606
N-(3,3-dimethyl-1-phenylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55689930
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51323878
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 30594655

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 9410020) is N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is C[C@H](NC(=O)CCCn1c(=O)oc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is KCTWRTWTTVIIIL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-13(14-8-10-15(20)11-9-14)21-18(23)7-4-12-22-16-5-2-3-6-17(16)25-19(22)24/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,21,23)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 342.37 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 9410020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).