3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide

C18H13FN2O2 — CID 123443563

IUPAC3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1F)Nc1cccc(-c2ccno2)c1
InChIInChI=1S/C18H13FN2O2/c19-16-7-2-1-4-13(16)8-9-18(22)21-15-6-3-5-14(12-15)17-10-11-20-23-17/h1-12H,(H,21,22)
InChIKeyAPRICEAICJVLKB-UHFFFAOYSA-N
MW308.31 g/mol
LogP4.13
Rot. Bonds4

About 3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide

3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide (PubChem CID 123443563) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide
PubChem CID123443563
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC Name3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1F)Nc1cccc(-c2ccno2)c1
InChIInChI=1S/C18H13FN2O2/c19-16-7-2-1-4-13(16)8-9-18(22)21-15-6-3-5-14(12-15)17-10-11-20-23-17/h1-12H,(H,21,22)
InChIKeyAPRICEAICJVLKB-UHFFFAOYSA-N
XLogP4.13
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 2769315
N-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3571869
N-(3-acetylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 973882
N-(3-acetylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3240197
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]isoxazole-5-carboxamide
CID 16745822
N-(4-fluorophenyl)-2-(5-phenylisoxazol-3-yl)acetamide
CID 42589866
N-(2-Ethylphenyl)-5-phenyl-3-isoxazolecarboxamide
CID 973857
5-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 2227051
3-(1,2-Oxazol-5-yl)aniline
CID 16640638
N-(4-ethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3571867
N-(2-ethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 4991815
Methyl 3-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate
CID 850521

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide (CID 123443563) is 3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide is O=C(C=Cc1ccccc1F)Nc1cccc(-c2ccno2)c1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide?
The InChIKey is APRICEAICJVLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2/c19-16-7-2-1-4-13(16)8-9-18(22)21-15-6-3-5-14(12-15)17-10-11-20-23-17/h1-12H,(H,21,22).
What are the key properties of 3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide?
3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide has a molecular weight of 308.31 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 123443563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).