1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine

C28H37N3O — CID 56669360

IUPAC1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine
SMILESCCC(C)C(NCc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1
InChIInChI=1S/C28H37N3O/c1-4-22(3)26(29-20-24-15-13-21(2)14-16-24)27-30-25(19-23-11-7-5-8-12-23)28(32-27)31-17-9-6-10-18-31/h5,7-8,11-16,22,26,29H,4,6,9-10,17-20H2,1-3H3
InChIKeyRVZGSHOSWHWPMO-UHFFFAOYSA-N
MW431.62 g/mol
LogP6.44
Rot. Bonds9

About 1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine

1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine (PubChem CID 56669360) has the molecular formula C28H37N3O and a molecular weight of 431.62 g/mol. Its IUPAC name is 1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine
PubChem CID56669360
Molecular FormulaC28H37N3O
Molecular Weight431.62 g/mol
Exact Mass431.29
IUPAC Name1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine
SMILESCCC(C)C(NCc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1
InChIInChI=1S/C28H37N3O/c1-4-22(3)26(29-20-24-15-13-21(2)14-16-24)27-30-25(19-23-11-7-5-8-12-23)28(32-27)31-17-9-6-10-18-31/h5,7-8,11-16,22,26,29H,4,6,9-10,17-20H2,1-3H3
InChIKeyRVZGSHOSWHWPMO-UHFFFAOYSA-N
XLogP6.44
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine with MolForge

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Related Compounds

1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-3-methyl-N-[(4-methylphenyl)methyl]butan-1-amine
CID 56665763
1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 56672876
methyl (2S)-1-[1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)heptyl]pyrrolidine-2-carboxylate
CID 101133614
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 119139036
(2R,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611865
(2S,3S)-N-benzyl-3-methylpentan-2-amine
CID 28611874
(2S,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611871
1-[4-[[4-benzyl-5-(4-phenylpiperazin-1-yl)-1,3-oxazol-2-yl]-piperidin-1-ylmethyl]cyclohexyl]-N,N-dimethyl-1-thiophen-2-ylmethanamine
CID 23634310
N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 7060595
1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N,N-bis(prop-2-enyl)heptan-1-amine
CID 102270460
(3S,5S)-5-benzyl-3-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-ethylmorpholin-2-one
CID 71658817
(1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine
CID 118957385

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine?
The IUPAC name of 1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine (CID 56669360) is 1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine.
What is the SMILES notation for 1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine?
The canonical SMILES for 1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine is CCC(C)C(NCc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1.
What is the InChIKey of 1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine?
The InChIKey is RVZGSHOSWHWPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O/c1-4-22(3)26(29-20-24-15-13-21(2)14-16-24)27-30-25(19-23-11-7-5-8-12-23)28(32-27)31-17-9-6-10-18-31/h5,7-8,11-16,22,26,29H,4,6,9-10,17-20H2,1-3H3.
What are the key properties of 1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine?
1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine has a molecular weight of 431.62 g/mol, XLogP of 6.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 56669360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).