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

C22H25N3O — CID 12050198

IUPAC1-benzyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
SMILESc1ccc(CN2CCC(NCc3coc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C22H25N3O/c1-3-7-18(8-4-1)16-25-13-11-20(12-14-25)23-15-21-17-26-22(24-21)19-9-5-2-6-10-19/h1-10,17,20,23H,11-16H2
InChIKeyNCKGSESQGZBZQN-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.10
Rot. Bonds6

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

1-benzyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-amine (PubChem CID 12050198) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-benzyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
PubChem CID12050198
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-benzyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
SMILESc1ccc(CN2CCC(NCc3coc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C22H25N3O/c1-3-7-18(8-4-1)16-25-13-11-20(12-14-25)23-15-21-17-26-22(24-21)19-9-5-2-6-10-19/h1-10,17,20,23H,11-16H2
InChIKeyNCKGSESQGZBZQN-UHFFFAOYSA-N
XLogP4.10
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Diphenyloxazole
CID 168750
N-{2-[ethyl(phenyl)amino]ethyl}-1-{[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
CID 3238586
2-Phenyl-4-oxazolecarboxamide
CID 604678
1-[[2-(4-ethylphenyl)-5-methyl-4-oxazolyl]methyl]-N-[(2-methoxyphenyl)methyl]-4-piperidinecarboxamide
CID 3236520
(3R,5S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-5-phenylpiperidine-3-carboxamide
CID 53233019
(3S,5S)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 54584609
2-Phenyl-5-(2-piperidin-1-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 696134
N-cyclohexyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 3239761
N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 3243889
4-{[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]acetyl}morpholine
CID 3244402
1-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 3237063
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-1-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methyl]-4-piperidinecarboxamide
CID 3244725

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-amine (CID 12050198) is 1-benzyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-amine is c1ccc(CN2CCC(NCc3coc(-c4ccccc4)n3)CC2)cc1.
What is the InChIKey of 1-benzyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is NCKGSESQGZBZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-3-7-18(8-4-1)16-25-13-11-20(12-14-25)23-15-21-17-26-22(24-21)19-9-5-2-6-10-19/h1-10,17,20,23H,11-16H2.
What are the key properties of 1-benzyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-amine?
1-benzyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 347.46 g/mol, XLogP of 4.10, 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-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 12050198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).