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

C17H15FN2O3 — CID 110607968

IUPAC3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
SMILESCn1c(=O)oc2ccc(NC(=O)CCc3ccccc3F)cc21
InChIInChI=1S/C17H15FN2O3/c1-20-14-10-12(7-8-15(14)23-17(20)22)19-16(21)9-6-11-4-2-3-5-13(11)18/h2-5,7-8,10H,6,9H2,1H3,(H,19,21)
InChIKeyAERZSYLQILFHPU-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.84
Rot. Bonds4

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

3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide (PubChem CID 110607968) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
PubChem CID110607968
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
SMILESCn1c(=O)oc2ccc(NC(=O)CCc3ccccc3F)cc21
InChIInChI=1S/C17H15FN2O3/c1-20-14-10-12(7-8-15(14)23-17(20)22)19-16(21)9-6-11-4-2-3-5-13(11)18/h2-5,7-8,10H,6,9H2,1H3,(H,19,21)
InChIKeyAERZSYLQILFHPU-UHFFFAOYSA-N
XLogP2.84
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 83547008
N-[2-(2-fluorophenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110683427
3-(2-fluorophenyl)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanamide
CID 110721787
3-(2-fluorophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 47067445
N-dibenzofuran-3-yl-3-(2-fluorophenyl)propanamide
CID 100553789
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-phenylacetamide
CID 110774161
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110608005
2-(3-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110662032
2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110662027
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide
CID 86881850
2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 115190137
2-(2-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
CID 110662188

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide (CID 110607968) is 3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide is Cn1c(=O)oc2ccc(NC(=O)CCc3ccccc3F)cc21.
What is the InChIKey of 3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is AERZSYLQILFHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-20-14-10-12(7-8-15(14)23-17(20)22)19-16(21)9-6-11-4-2-3-5-13(11)18/h2-5,7-8,10H,6,9H2,1H3,(H,19,21).
What are the key properties of 3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide?
3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 314.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 110607968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).