N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-3,3,5-trimethylcyclohexan-1-amine

C23H34N2O — CID 46218750

IUPACN-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-3,3,5-trimethylcyclohexan-1-amine
SMILESCCCCc1ccc(-c2nc(CNC3CC(C)CC(C)(C)C3)co2)cc1
InChIInChI=1S/C23H34N2O/c1-5-6-7-18-8-10-19(11-9-18)22-25-21(16-26-22)15-24-20-12-17(2)13-23(3,4)14-20/h8-11,16-17,20,24H,5-7,12-15H2,1-4H3
InChIKeyVZFUQCHYHZGDMD-UHFFFAOYSA-N
MW354.54 g/mol
LogP5.99
Rot. Bonds7

About N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-3,3,5-trimethylcyclohexan-1-amine

N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-3,3,5-trimethylcyclohexan-1-amine (PubChem CID 46218750) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-3,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-3,3,5-trimethylcyclohexan-1-amine
PubChem CID46218750
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC NameN-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-3,3,5-trimethylcyclohexan-1-amine
SMILESCCCCc1ccc(-c2nc(CNC3CC(C)CC(C)(C)C3)co2)cc1
InChIInChI=1S/C23H34N2O/c1-5-6-7-18-8-10-19(11-9-18)22-25-21(16-26-22)15-24-20-12-17(2)13-23(3,4)14-20/h8-11,16-17,20,24H,5-7,12-15H2,1-4H3
InChIKeyVZFUQCHYHZGDMD-UHFFFAOYSA-N
XLogP5.99
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-3,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-3,3,5-trimethylcyclohexan-1-amine (CID 46218750) is N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-3,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-3,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-3,3,5-trimethylcyclohexan-1-amine is CCCCc1ccc(-c2nc(CNC3CC(C)CC(C)(C)C3)co2)cc1.
What is the InChIKey of N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-3,3,5-trimethylcyclohexan-1-amine?
The InChIKey is VZFUQCHYHZGDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-5-6-7-18-8-10-19(11-9-18)22-25-21(16-26-22)15-24-20-12-17(2)13-23(3,4)14-20/h8-11,16-17,20,24H,5-7,12-15H2,1-4H3.
What are the key properties of N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-3,3,5-trimethylcyclohexan-1-amine?
N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-3,3,5-trimethylcyclohexan-1-amine has a molecular weight of 354.54 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-3,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 46218750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).