1-phenyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]methanamine

C22H25N3O — CID 24718053

IUPAC1-phenyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]methanamine
SMILESc1ccc(CNCc2c(-c3ccccc3)noc2N2CCCCC2)cc1
InChIInChI=1S/C22H25N3O/c1-4-10-18(11-5-1)16-23-17-20-21(19-12-6-2-7-13-19)24-26-22(20)25-14-8-3-9-15-25/h1-2,4-7,10-13,23H,3,8-9,14-17H2
InChIKeyIJWXPQLKYOTKSK-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.62
Rot. Bonds6

About 1-phenyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]methanamine

1-phenyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]methanamine (PubChem CID 24718053) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-phenyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-phenyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]methanamine
PubChem CID24718053
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-phenyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]methanamine
SMILESc1ccc(CNCc2c(-c3ccccc3)noc2N2CCCCC2)cc1
InChIInChI=1S/C22H25N3O/c1-4-10-18(11-5-1)16-23-17-20-21(19-12-6-2-7-13-19)24-26-22(20)25-14-8-3-9-15-25/h1-2,4-7,10-13,23H,3,8-9,14-17H2
InChIKeyIJWXPQLKYOTKSK-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-dimethyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 24714737
1-(1,3-benzodioxol-5-yl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]methanamine
CID 46014698
N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine
CID 46014763
2-methoxy-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine
CID 24714924
N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]cyclopropanamine
CID 24714267
N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 24719752
N-cyclopropyl-2-fluoro-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 24719772
N-(oxolan-2-ylmethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide
CID 46023666
N-benzyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide
CID 46015005
1-cyclopropyl-3-(4-methylphenyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea
CID 46023784
N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 24719374
N-[[(2S)-oxolan-2-yl]methyl]-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
CID 93207861

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]methanamine?
The IUPAC name of 1-phenyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]methanamine (CID 24718053) is 1-phenyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-phenyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-phenyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]methanamine is c1ccc(CNCc2c(-c3ccccc3)noc2N2CCCCC2)cc1.
What is the InChIKey of 1-phenyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]methanamine?
The InChIKey is IJWXPQLKYOTKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-4-10-18(11-5-1)16-23-17-20-21(19-12-6-2-7-13-19)24-26-22(20)25-14-8-3-9-15-25/h1-2,4-7,10-13,23H,3,8-9,14-17H2.
What are the key properties of 1-phenyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]methanamine?
1-phenyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]methanamine has a molecular weight of 347.46 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]methanamine is sourced from PubChem (CID 24718053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).