1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-fluorophenyl)methyl]methanamine

C17H16F2N2O — CID 24715618

IUPAC1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-fluorophenyl)methyl]methanamine
SMILESFc1ccc(C2=NOC(CNCc3cccc(F)c3)C2)cc1
InChIInChI=1S/C17H16F2N2O/c18-14-6-4-13(5-7-14)17-9-16(22-21-17)11-20-10-12-2-1-3-15(19)8-12/h1-8,16,20H,9-11H2
InChIKeyOZTQECFXBSIRHY-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.25
Rot. Bonds5

About 1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-fluorophenyl)methyl]methanamine

1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-fluorophenyl)methyl]methanamine (PubChem CID 24715618) has the molecular formula C17H16F2N2O and a molecular weight of 302.32 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-fluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-fluorophenyl)methyl]methanamine
PubChem CID24715618
Molecular FormulaC17H16F2N2O
Molecular Weight302.32 g/mol
Exact Mass302.12
IUPAC Name1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-fluorophenyl)methyl]methanamine
SMILESFc1ccc(C2=NOC(CNCc3cccc(F)c3)C2)cc1
InChIInChI=1S/C17H16F2N2O/c18-14-6-4-13(5-7-14)17-9-16(22-21-17)11-20-10-12-2-1-3-15(19)8-12/h1-8,16,20H,9-11H2
InChIKeyOZTQECFXBSIRHY-UHFFFAOYSA-N
XLogP3.25
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-fluorophenyl)methyl]methanamine with MolForge

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Related Compounds

3-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681854
3-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681931
N-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 4900663
N-(4-fluorobenzyl)-3-(2-fluorophenyl)-4,5-dihydro-5-isoxazolecarboxamide
CID 17095799
N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095806
N-[1-(3,4-difluorophenyl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45885568
N-[1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071746
3-(4-fluorophenyl)-N-(1-phenylethyl)-4,5-dihydroisoxazole-5-carboxamide
CID 17095764
(E)-5-methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one O-(2-(benzylamino) ethyl) oxime
CID 178183404
3-tert-butyl-1-[(4-fluorophenyl)methyl]-1-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 8103100
N-(4-fluorobenzyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095758
1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
CID 24715265

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-fluorophenyl)methyl]methanamine?
The IUPAC name of 1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-fluorophenyl)methyl]methanamine (CID 24715618) is 1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-fluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-fluorophenyl)methyl]methanamine?
The canonical SMILES for 1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-fluorophenyl)methyl]methanamine is Fc1ccc(C2=NOC(CNCc3cccc(F)c3)C2)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-fluorophenyl)methyl]methanamine?
The InChIKey is OZTQECFXBSIRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O/c18-14-6-4-13(5-7-14)17-9-16(22-21-17)11-20-10-12-2-1-3-15(19)8-12/h1-8,16,20H,9-11H2.
What are the key properties of 1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-fluorophenyl)methyl]methanamine?
1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-fluorophenyl)methyl]methanamine has a molecular weight of 302.32 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-fluorophenyl)methyl]methanamine is sourced from PubChem (CID 24715618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).