1-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine

C19H18ClFN2O — CID 112812779

IUPAC1-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCC(NCc1coc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClFN2O/c1-2-18(13-3-7-15(20)8-4-13)22-11-17-12-24-19(23-17)14-5-9-16(21)10-6-14/h3-10,12,18,22H,2,11H2,1H3
InChIKeyATZCFIPSHOWAAB-UHFFFAOYSA-N
MW344.82 g/mol
LogP5.38
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine

1-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 112812779) has the molecular formula C19H18ClFN2O and a molecular weight of 344.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
PubChem CID112812779
Molecular FormulaC19H18ClFN2O
Molecular Weight344.82 g/mol
Exact Mass344.11
IUPAC Name1-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCC(NCc1coc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClFN2O/c1-2-18(13-3-7-15(20)8-4-13)22-11-17-12-24-19(23-17)14-5-9-16(21)10-6-14/h3-10,12,18,22H,2,11H2,1H3
InChIKeyATZCFIPSHOWAAB-UHFFFAOYSA-N
XLogP5.38
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.82
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine
CID 56682845
1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 43194840
N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine
CID 46220080
(2S)-2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylamino]propanoic acid
CID 83193093
N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 60682858
1-(4-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 103711055
4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole
CID 31825741
(1R)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-1-phenylethanamine
CID 100706017
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 112818351
1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 62049333
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43081616
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-1-amine
CID 106370255

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine (CID 112812779) is 1-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine is CCC(NCc1coc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is ATZCFIPSHOWAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O/c1-2-18(13-3-7-15(20)8-4-13)22-11-17-12-24-19(23-17)14-5-9-16(21)10-6-14/h3-10,12,18,22H,2,11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
1-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine has a molecular weight of 344.82 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 112812779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).