(2S,3S)-N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine

C24H29N3O2 — CID 10500669

IUPAC(2S,3S)-N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccc(-c2c(C)noc2C)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C24H29N3O2/c1-16-23(17(2)29-27-16)19-11-12-22(28-3)20(14-19)15-26-21-10-7-13-25-24(21)18-8-5-4-6-9-18/h4-6,8-9,11-12,14,21,24-26H,7,10,13,15H2,1-3H3/t21-,24-/m0/s1
InChIKeyNNCLFEXCOZZGBL-URXFXBBRSA-N
MW391.52 g/mol
LogP4.55
Rot. Bonds6

About (2S,3S)-N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine

(2S,3S)-N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine (PubChem CID 10500669) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is (2S,3S)-N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
PubChem CID10500669
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name(2S,3S)-N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccc(-c2c(C)noc2C)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C24H29N3O2/c1-16-23(17(2)29-27-16)19-11-12-22(28-3)20(14-19)15-26-21-10-7-13-25-24(21)18-8-5-4-6-9-18/h4-6,8-9,11-12,14,21,24-26H,7,10,13,15H2,1-3H3/t21-,24-/m0/s1
InChIKeyNNCLFEXCOZZGBL-URXFXBBRSA-N
XLogP4.55
TPSA59.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 118796836
N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3686576
N-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 3242135
N-(4-aminobutyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 132059961
(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]butyl]icosa-5,8,11,14-tetraenamide
CID 132075275
N-{[3-(4-methoxyphenyl)-5-isoxazolyl]methyl}-2-(4-methylpiperazino)acetamide
CID 1480152
N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 2557396
4-[5-(4-methoxyphenyl)isoxazol-3-yl]-N-(2-phenylethyl)butanamide
CID 16188057
(E)-3-(2-methoxyphenyl)-N-[4-[2-[7-(3-methyl-1,2-oxazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]prop-2-enamide;hydrochloride
CID 44534173
4-(4-methoxyphenyl)-3-methyl-5-[(2S,3S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole;hydrochloride
CID 44560598
N-[1-[4-(4-amino-4-oxobutyl)phenyl]-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 127046001
N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 127046006

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of (2S,3S)-N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine (CID 10500669) is (2S,3S)-N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for (2S,3S)-N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for (2S,3S)-N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine is COc1ccc(-c2c(C)noc2C)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine?
The InChIKey is NNCLFEXCOZZGBL-URXFXBBRSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-16-23(17(2)29-27-16)19-11-12-22(28-3)20(14-19)15-26-21-10-7-13-25-24(21)18-8-5-4-6-9-18/h4-6,8-9,11-12,14,21,24-26H,7,10,13,15H2,1-3H3/t21-,24-/m0/s1.
What are the key properties of (2S,3S)-N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine?
(2S,3S)-N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine has a molecular weight of 391.52 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 10500669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).