[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine

C17H22ClN3O — CID 56760461

IUPAC[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine
SMILESCc1oc(-c2cccc(Cl)c2)nc1CN1CCC(CN)CC1
InChIInChI=1S/C17H22ClN3O/c1-12-16(11-21-7-5-13(10-19)6-8-21)20-17(22-12)14-3-2-4-15(18)9-14/h2-4,9,13H,5-8,10-11,19H2,1H3
InChIKeyFYXFNTKLWYMCTH-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.47
Rot. Bonds4

About [1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine

[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine (PubChem CID 56760461) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is [1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine
PubChem CID56760461
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine
SMILESCc1oc(-c2cccc(Cl)c2)nc1CN1CCC(CN)CC1
InChIInChI=1S/C17H22ClN3O/c1-12-16(11-21-7-5-13(10-19)6-8-21)20-17(22-12)14-3-2-4-15(18)9-14/h2-4,9,13H,5-8,10-11,19H2,1H3
InChIKeyFYXFNTKLWYMCTH-UHFFFAOYSA-N
XLogP3.47
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine with MolForge

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Related Compounds

1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide
CID 20859881
2-(3-chlorophenyl)-5-methyl-4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole
CID 95216234
4-[[4-(3-chlorophenoxy)piperidin-1-yl]methyl]-2-(3-fluorophenyl)-5-methyl-1,3-oxazole
CID 42415863
2-(3-chlorophenyl)-4-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084974
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 3236063
1-[[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
CID 56760356
2-[(2S)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol
CID 95394340
2-(3-chlorophenyl)-4-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084971
N-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 46364592
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide
CID 20859982
2-(3-chlorophenyl)-4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084970
2-(3-chlorophenyl)-4-[[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084976

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine (CID 56760461) is [1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine is Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(CN)CC1.
What is the InChIKey of [1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine?
The InChIKey is FYXFNTKLWYMCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-12-16(11-21-7-5-13(10-19)6-8-21)20-17(22-12)14-3-2-4-15(18)9-14/h2-4,9,13H,5-8,10-11,19H2,1H3.
What are the key properties of [1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine?
[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine has a molecular weight of 319.84 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 56760461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).