(2S,3S)-N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine

C22H25N3O2 — CID 54104125

IUPAC(2S,3S)-N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccc(-c2cnco2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-26-20-10-9-17(21-14-23-15-27-21)12-18(20)13-25-19-8-5-11-24-22(19)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,14-15,19,22,24-25H,5,8,11,13H2,1H3/t19-,22-/m0/s1
InChIKeyNCNSGOAGPDOFLC-UGKGYDQZSA-N
MW363.46 g/mol
LogP3.93
Rot. Bonds6

About (2S,3S)-N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine

(2S,3S)-N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine (PubChem CID 54104125) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (2S,3S)-N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
PubChem CID54104125
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(2S,3S)-N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccc(-c2cnco2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-26-20-10-9-17(21-14-23-15-27-21)12-18(20)13-25-19-8-5-11-24-22(19)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,14-15,19,22,24-25H,5,8,11,13H2,1H3/t19-,22-/m0/s1
InChIKeyNCNSGOAGPDOFLC-UGKGYDQZSA-N
XLogP3.93
TPSA59.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67618693
(2S,3S)-N-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
CID 11793012
N-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
CID 23276835
(2S,3S)-N-[[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67618812
N-[[2-methoxy-5-(6-methyl-2-pyridinyl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 22620040
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2S,3S)-N-[(2-methoxy-5-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 70200380
(2S,3S)-N-[[5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
CID 57292442
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
(2S,3S)-N-[[5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 86758791
(2R,3R)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 15228060

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of (2S,3S)-N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine (CID 54104125) is (2S,3S)-N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for (2S,3S)-N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for (2S,3S)-N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine is COc1ccc(-c2cnco2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine?
The InChIKey is NCNSGOAGPDOFLC-UGKGYDQZSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-26-20-10-9-17(21-14-23-15-27-21)12-18(20)13-25-19-8-5-11-24-22(19)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,14-15,19,22,24-25H,5,8,11,13H2,1H3/t19-,22-/m0/s1.
What are the key properties of (2S,3S)-N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine?
(2S,3S)-N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine has a molecular weight of 363.46 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 54104125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).