3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide

C17H15FN2O3 — CID 110786774

IUPAC3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide
SMILESO=C(CCc1cccc(F)c1)NCc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C17H15FN2O3/c18-13-3-1-2-11(8-13)5-7-16(21)19-10-12-4-6-15-14(9-12)20-17(22)23-15/h1-4,6,8-9H,5,7,10H2,(H,19,21)(H,20,22)
InChIKeyAMELGIYLIOSUTN-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.51
Rot. Bonds5

About 3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide

3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide (PubChem CID 110786774) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide
PubChem CID110786774
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide
SMILESO=C(CCc1cccc(F)c1)NCc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C17H15FN2O3/c18-13-3-1-2-11(8-13)5-7-16(21)19-10-12-4-6-15-14(9-12)20-17(22)23-15/h1-4,6,8-9H,5,7,10H2,(H,19,21)(H,20,22)
InChIKeyAMELGIYLIOSUTN-UHFFFAOYSA-N
XLogP2.51
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390393
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)methylamino]butanoic acid
CID 82501414
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-2-phenylacetamide
CID 110786737
N-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390399
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110390405
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide
CID 110390366
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773952
3-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide
CID 115176424
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide
CID 110678767
2-(2-fluorophenyl)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110665351
3-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115162652

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide (CID 110786774) is 3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide is O=C(CCc1cccc(F)c1)NCc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide?
The InChIKey is AMELGIYLIOSUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c18-13-3-1-2-11(8-13)5-7-16(21)19-10-12-4-6-15-14(9-12)20-17(22)23-15/h1-4,6,8-9H,5,7,10H2,(H,19,21)(H,20,22).
What are the key properties of 3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide?
3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide has a molecular weight of 314.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide is sourced from PubChem (CID 110786774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).