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

C29H31N3O2 — CID 56679283

IUPAC1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methylphenyl)methyl]-1-phenylmethanamine
SMILESCc1ccc(CNC(c2ccccc2)c2nc(Cc3ccccc3)c(N3CCOCC3)o2)cc1
InChIInChI=1S/C29H31N3O2/c1-22-12-14-24(15-13-22)21-30-27(25-10-6-3-7-11-25)28-31-26(20-23-8-4-2-5-9-23)29(34-28)32-16-18-33-19-17-32/h2-15,27,30H,16-21H2,1H3
InChIKeyAYLDOESKIFGNAI-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.29
Rot. Bonds8

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

1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methylphenyl)methyl]-1-phenylmethanamine (PubChem CID 56679283) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methylphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound Name1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methylphenyl)methyl]-1-phenylmethanamine
PubChem CID56679283
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC Name1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methylphenyl)methyl]-1-phenylmethanamine
SMILESCc1ccc(CNC(c2ccccc2)c2nc(Cc3ccccc3)c(N3CCOCC3)o2)cc1
InChIInChI=1S/C29H31N3O2/c1-22-12-14-24(15-13-22)21-30-27(25-10-6-3-7-11-25)28-31-26(20-23-8-4-2-5-9-23)29(34-28)32-16-18-33-19-17-32/h2-15,27,30H,16-21H2,1H3
InChIKeyAYLDOESKIFGNAI-UHFFFAOYSA-N
XLogP5.29
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methylphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methylphenyl)methyl]-1-phenylmethanamine (CID 56679283) is 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methylphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methylphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methylphenyl)methyl]-1-phenylmethanamine is Cc1ccc(CNC(c2ccccc2)c2nc(Cc3ccccc3)c(N3CCOCC3)o2)cc1.
What is the InChIKey of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methylphenyl)methyl]-1-phenylmethanamine?
The InChIKey is AYLDOESKIFGNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-22-12-14-24(15-13-22)21-30-27(25-10-6-3-7-11-25)28-31-26(20-23-8-4-2-5-9-23)29(34-28)32-16-18-33-19-17-32/h2-15,27,30H,16-21H2,1H3.
What are the key properties of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methylphenyl)methyl]-1-phenylmethanamine?
1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methylphenyl)methyl]-1-phenylmethanamine has a molecular weight of 453.59 g/mol, XLogP of 5.29, 8 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)-N-[(4-methylphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 56679283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).