N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C20H21FN2O3 — CID 24625588

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC(C)C(NC(=O)C(C)n1c(=O)oc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O3/c1-12(2)18(14-8-10-15(21)11-9-14)22-19(24)13(3)23-16-6-4-5-7-17(16)26-20(23)25/h4-13,18H,1-3H3,(H,22,24)
InChIKeyJKORVUGNNGCZBJ-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.81
Rot. Bonds5

About N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 24625588) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID24625588
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC(C)C(NC(=O)C(C)n1c(=O)oc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O3/c1-12(2)18(14-8-10-15(21)11-9-14)22-19(24)13(3)23-16-6-4-5-7-17(16)26-20(23)25/h4-13,18H,1-3H3,(H,22,24)
InChIKeyJKORVUGNNGCZBJ-UHFFFAOYSA-N
XLogP3.81
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 95580528
(2R)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 95580526
N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18143367
N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 95165771
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]propanamide
CID 86769881
N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886772
N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886763
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16563622
(2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide
CID 26041420
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide
CID 126444906
N-(2-methyl-1-phenylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51213975

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 24625588) is N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CC(C)C(NC(=O)C(C)n1c(=O)oc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is JKORVUGNNGCZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-12(2)18(14-8-10-15(21)11-9-14)22-19(24)13(3)23-16-6-4-5-7-17(16)26-20(23)25/h4-13,18H,1-3H3,(H,22,24).
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 356.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 24625588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).