1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine

C23H27N3O — CID 56662047

IUPAC1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
SMILESCc1cccc(-c2nc(CNC3CCN(Cc4ccccc4)CC3)co2)c1
InChIInChI=1S/C23H27N3O/c1-18-6-5-9-20(14-18)23-25-22(17-27-23)15-24-21-10-12-26(13-11-21)16-19-7-3-2-4-8-19/h2-9,14,17,21,24H,10-13,15-16H2,1H3
InChIKeyHTHOLOYOVIHRAN-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.40
Rot. Bonds6

About 1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine

1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine (PubChem CID 56662047) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
PubChem CID56662047
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
SMILESCc1cccc(-c2nc(CNC3CCN(Cc4ccccc4)CC3)co2)c1
InChIInChI=1S/C23H27N3O/c1-18-6-5-9-20(14-18)23-25-22(17-27-23)15-24-21-10-12-26(13-11-21)16-19-7-3-2-4-8-19/h2-9,14,17,21,24H,10-13,15-16H2,1H3
InChIKeyHTHOLOYOVIHRAN-UHFFFAOYSA-N
XLogP4.40
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
CID 56682320
1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
CID 56679054
N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288193
N-(1-benzylpiperidin-4-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38548867
1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine
CID 119923250
N-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288587
N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclohexanamine
CID 56662457
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3230040
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
1-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-phenylpyrazol-3-amine
CID 56659394
1-ethyl-2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111981017
1-benzyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine
CID 68673729

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine (CID 56662047) is 1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine is Cc1cccc(-c2nc(CNC3CCN(Cc4ccccc4)CC3)co2)c1.
What is the InChIKey of 1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine?
The InChIKey is HTHOLOYOVIHRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-18-6-5-9-20(14-18)23-25-22(17-27-23)15-24-21-10-12-26(13-11-21)16-19-7-3-2-4-8-19/h2-9,14,17,21,24H,10-13,15-16H2,1H3.
What are the key properties of 1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine?
1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine has a molecular weight of 361.49 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 56662047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).