(1S)-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine

C22H18ClN3O — CID 51645981

IUPAC(1S)-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine
SMILESClc1ccc(-c2cc(CN[C@@H](c3ccccc3)c3ccccn3)on2)cc1
InChIInChI=1S/C22H18ClN3O/c23-18-11-9-16(10-12-18)21-14-19(27-26-21)15-25-22(17-6-2-1-3-7-17)20-8-4-5-13-24-20/h1-14,22,25H,15H2/t22-/m0/s1
InChIKeyFYUIGXDNRQTKOA-QFIPXVFZSA-N
MW375.86 g/mol
LogP5.27
Rot. Bonds6

About (1S)-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine

(1S)-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine (PubChem CID 51645981) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is (1S)-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound Name(1S)-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine
PubChem CID51645981
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name(1S)-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine
SMILESClc1ccc(-c2cc(CN[C@@H](c3ccccc3)c3ccccn3)on2)cc1
InChIInChI=1S/C22H18ClN3O/c23-18-11-9-16(10-12-18)21-14-19(27-26-21)15-25-22(17-6-2-1-3-7-17)20-8-4-5-13-24-20/h1-14,22,25H,15H2/t22-/m0/s1
InChIKeyFYUIGXDNRQTKOA-QFIPXVFZSA-N
XLogP5.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine with MolForge

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Related Compounds

(1R)-1-(3-chlorophenyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylmethanamine
CID 124575331
5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole
CID 146097170
N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine
CID 72930406
N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine
CID 60889324
3-(4-methoxyphenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 51688774
(1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine
CID 97075751
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 42919824
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylcarbamoyl]-3-methylbutanoic acid
CID 167935125
3-fluoro-4-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]benzonitrile
CID 56810906
(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 32670529
2,5-dichloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide
CID 1480826
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-1-phenylmethanamine
CID 55897601

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
The IUPAC name of (1S)-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine (CID 51645981) is (1S)-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine.
What is the SMILES notation for (1S)-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
The canonical SMILES for (1S)-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine is Clc1ccc(-c2cc(CN[C@@H](c3ccccc3)c3ccccn3)on2)cc1.
What is the InChIKey of (1S)-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
The InChIKey is FYUIGXDNRQTKOA-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H18ClN3O/c23-18-11-9-16(10-12-18)21-14-19(27-26-21)15-25-22(17-6-2-1-3-7-17)20-8-4-5-13-24-20/h1-14,22,25H,15H2/t22-/m0/s1.
What are the key properties of (1S)-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
(1S)-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine has a molecular weight of 375.86 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 51645981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).