3-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H17FN2O2 — CID 16681854

IUPAC3-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccc(CNC(=O)C2CC(c3cccc(F)c3)=NO2)cc1
InChIInChI=1S/C18H17FN2O2/c1-12-5-7-13(8-6-12)11-20-18(22)17-10-16(21-23-17)14-3-2-4-15(19)9-14/h2-9,17H,10-11H2,1H3,(H,20,22)
InChIKeyKTVBTWYJJBENCJ-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.94
Rot. Bonds4

About 3-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 16681854) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID16681854
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name3-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccc(CNC(=O)C2CC(c3cccc(F)c3)=NO2)cc1
InChIInChI=1S/C18H17FN2O2/c1-12-5-7-13(8-6-12)11-20-18(22)17-10-16(21-23-17)14-3-2-4-15(19)9-14/h2-9,17H,10-11H2,1H3,(H,20,22)
InChIKeyKTVBTWYJJBENCJ-UHFFFAOYSA-N
XLogP2.94
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}-2-methylpiperidine
CID 3238468
(4-Ethylpiperazino)[3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methanone
CID 5308889
(4-Benzylpiperazin-1-yl)[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 5309483
1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}-2,6-dimethylpiperidine
CID 3236925
1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}piperidine
CID 3241252
N-benzyl-2-[(E)-1-phenylethylideneamino]oxyacetamide
CID 5864947
N-[(4-methylphenyl)methyl]-3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 11958536
N-[(4-methylphenyl)methyl]-3-(4-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 11958540
3-(2,6-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 11958543
N-butyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681849
3-(3-fluorophenyl)-N-(4-phenylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681858
3-[2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681875

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 16681854) is 3-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1ccc(CNC(=O)C2CC(c3cccc(F)c3)=NO2)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is KTVBTWYJJBENCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-12-5-7-13(8-6-12)11-20-18(22)17-10-16(21-23-17)14-3-2-4-15(19)9-14/h2-9,17H,10-11H2,1H3,(H,20,22).
What are the key properties of 3-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16681854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).