2-(4-fluorophenyl)-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide

C18H17FN2O3 — CID 110619565

IUPAC2-(4-fluorophenyl)-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
SMILESCC(C)C(C(=O)Nc1ccc2[nH]c(=O)oc2c1)c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O3/c1-10(2)16(11-3-5-12(19)6-4-11)17(22)20-13-7-8-14-15(9-13)24-18(23)21-14/h3-10,16H,1-2H3,(H,20,22)(H,21,23)
InChIKeyWGNWPJLBHSPVEL-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.64
Rot. Bonds4

About 2-(4-fluorophenyl)-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide

2-(4-fluorophenyl)-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide (PubChem CID 110619565) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
PubChem CID110619565
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name2-(4-fluorophenyl)-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
SMILESCC(C)C(C(=O)Nc1ccc2[nH]c(=O)oc2c1)c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O3/c1-10(2)16(11-3-5-12(19)6-4-11)17(22)20-13-7-8-14-15(9-13)24-18(23)21-14/h3-10,16H,1-2H3,(H,20,22)(H,21,23)
InChIKeyWGNWPJLBHSPVEL-UHFFFAOYSA-N
XLogP3.64
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide
CID 110608124
2-amino-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]propanoic acid
CID 115179135
2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 115175381
2-hydroxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 83820376
1-(3-methylbutyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 110411149
2-(4-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110662130
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 43710360
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(4-fluorophenyl)-3-methylbutanamide
CID 110619940
(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 78972326
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide
CID 115166967
5-(4-fluorophenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanamide
CID 110616402
3-(furan-2-yl)-2-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110411098

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide?
The IUPAC name of 2-(4-fluorophenyl)-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide (CID 110619565) is 2-(4-fluorophenyl)-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide?
The canonical SMILES for 2-(4-fluorophenyl)-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide is CC(C)C(C(=O)Nc1ccc2[nH]c(=O)oc2c1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide?
The InChIKey is WGNWPJLBHSPVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-10(2)16(11-3-5-12(19)6-4-11)17(22)20-13-7-8-14-15(9-13)24-18(23)21-14/h3-10,16H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-(4-fluorophenyl)-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide?
2-(4-fluorophenyl)-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide has a molecular weight of 328.34 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide is sourced from PubChem (CID 110619565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).