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

C27H35N3O2 — CID 56682147

IUPAC1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine
SMILESCCC(C)C(NCc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCOCC2)o1
InChIInChI=1S/C27H35N3O2/c1-4-21(3)25(28-19-23-12-10-20(2)11-13-23)26-29-24(18-22-8-6-5-7-9-22)27(32-26)30-14-16-31-17-15-30/h5-13,21,25,28H,4,14-19H2,1-3H3
InChIKeyYULZIQNVMXNVSA-UHFFFAOYSA-N
MW433.60 g/mol
LogP5.29
Rot. Bonds9

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

1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine (PubChem CID 56682147) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine
PubChem CID56682147
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine
SMILESCCC(C)C(NCc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCOCC2)o1
InChIInChI=1S/C27H35N3O2/c1-4-21(3)25(28-19-23-12-10-20(2)11-13-23)26-29-24(18-22-8-6-5-7-9-22)27(32-26)30-14-16-31-17-15-30/h5-13,21,25,28H,4,14-19H2,1-3H3
InChIKeyYULZIQNVMXNVSA-UHFFFAOYSA-N
XLogP5.29
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine?
The IUPAC name of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine (CID 56682147) is 1-(4-benzyl-5-morpholin-4-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-morpholin-4-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine?
The canonical SMILES for 1-(4-benzyl-5-morpholin-4-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(N2CCOCC2)o1.
What is the InChIKey of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine?
The InChIKey is YULZIQNVMXNVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-4-21(3)25(28-19-23-12-10-20(2)11-13-23)26-29-24(18-22-8-6-5-7-9-22)27(32-26)30-14-16-31-17-15-30/h5-13,21,25,28H,4,14-19H2,1-3H3.
What are the key properties of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine?
1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine has a molecular weight of 433.60 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 56682147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).