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

C29H37N3O2 — CID 56675750

IUPAC1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclohexyl-N-[(4-methylphenyl)methyl]methanamine
SMILESCc1ccc(CNC(c2nc(Cc3ccccc3)c(N3CCOCC3)o2)C2CCCCC2)cc1
InChIInChI=1S/C29H37N3O2/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/h2,4-5,8-9,12-15,25,27,30H,3,6-7,10-11,16-21H2,1H3
InChIKeyXMDTZLRWVHAOLZ-UHFFFAOYSA-N
MW459.63 g/mol
LogP5.82
Rot. Bonds8

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

1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclohexyl-N-[(4-methylphenyl)methyl]methanamine (PubChem CID 56675750) has the molecular formula C29H37N3O2 and a molecular weight of 459.63 g/mol. Its IUPAC name is 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclohexyl-N-[(4-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclohexyl-N-[(4-methylphenyl)methyl]methanamine
PubChem CID56675750
Molecular FormulaC29H37N3O2
Molecular Weight459.63 g/mol
Exact Mass459.29
IUPAC Name1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclohexyl-N-[(4-methylphenyl)methyl]methanamine
SMILESCc1ccc(CNC(c2nc(Cc3ccccc3)c(N3CCOCC3)o2)C2CCCCC2)cc1
InChIInChI=1S/C29H37N3O2/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/h2,4-5,8-9,12-15,25,27,30H,3,6-7,10-11,16-21H2,1H3
InChIKeyXMDTZLRWVHAOLZ-UHFFFAOYSA-N
XLogP5.82
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 55.82
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)-1-cyclohexyl-N-[(4-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclohexyl-N-[(4-methylphenyl)methyl]methanamine (CID 56675750) is 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclohexyl-N-[(4-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclohexyl-N-[(4-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclohexyl-N-[(4-methylphenyl)methyl]methanamine is Cc1ccc(CNC(c2nc(Cc3ccccc3)c(N3CCOCC3)o2)C2CCCCC2)cc1.
What is the InChIKey of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclohexyl-N-[(4-methylphenyl)methyl]methanamine?
The InChIKey is XMDTZLRWVHAOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O2/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/h2,4-5,8-9,12-15,25,27,30H,3,6-7,10-11,16-21H2,1H3.
What are the key properties of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclohexyl-N-[(4-methylphenyl)methyl]methanamine?
1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclohexyl-N-[(4-methylphenyl)methyl]methanamine has a molecular weight of 459.63 g/mol, XLogP of 5.82, 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)-1-cyclohexyl-N-[(4-methylphenyl)methyl]methanamine is sourced from PubChem (CID 56675750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).