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

C16H20ClN3O — CID 119923250

IUPAC1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(Cc2coc(-c3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C16H20ClN3O/c1-18-14-5-7-20(8-6-14)10-15-11-21-16(19-15)12-3-2-4-13(17)9-12/h2-4,9,11,14,18H,5-8,10H2,1H3
InChIKeyJILKFZINMOQLEL-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.18
Rot. Bonds4

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

1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine (PubChem CID 119923250) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine
PubChem CID119923250
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(Cc2coc(-c3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C16H20ClN3O/c1-18-14-5-7-20(8-6-14)10-15-11-21-16(19-15)12-3-2-4-13(17)9-12/h2-4,9,11,14,18H,5-8,10H2,1H3
InChIKeyJILKFZINMOQLEL-UHFFFAOYSA-N
XLogP3.18
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine
CID 119920593
2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 43348646
2-(3-chlorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 55591666
N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288193
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923283
2-(3-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole
CID 55831124
1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
CID 56662047
N-(2-aminoethyl)-1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 119916782
2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid
CID 146134573
[1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanol
CID 60768867
N-(1-benzylpiperidin-4-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38548867
4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one
CID 126770287

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine (CID 119923250) is 1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine is CNC1CCN(Cc2coc(-c3cccc(Cl)c3)n2)CC1.
What is the InChIKey of 1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine?
The InChIKey is JILKFZINMOQLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-18-14-5-7-20(8-6-14)10-15-11-21-16(19-15)12-3-2-4-13(17)9-12/h2-4,9,11,14,18H,5-8,10H2,1H3.
What are the key properties of 1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine?
1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 3.18, 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)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 119923250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).