N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylcyclohexan-1-amine

C17H22N2O — CID 71968702

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylcyclohexan-1-amine
SMILESCc1cc(CNC2(c3ccccc3)CCCCC2)no1
InChIInChI=1S/C17H22N2O/c1-14-12-16(19-20-14)13-18-17(10-6-3-7-11-17)15-8-4-2-5-9-15/h2,4-5,8-9,12,18H,3,6-7,10-11,13H2,1H3
InChIKeyIWMOYETXXKNSCK-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.93
Rot. Bonds4

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

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylcyclohexan-1-amine (PubChem CID 71968702) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylcyclohexan-1-amine
PubChem CID71968702
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylcyclohexan-1-amine
SMILESCc1cc(CNC2(c3ccccc3)CCCCC2)no1
InChIInChI=1S/C17H22N2O/c1-14-12-16(19-20-14)13-18-17(10-6-3-7-11-17)15-8-4-2-5-9-15/h2,4-5,8-9,12,18H,3,6-7,10-11,13H2,1H3
InChIKeyIWMOYETXXKNSCK-UHFFFAOYSA-N
XLogP3.93
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylcyclohexan-1-amine?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylcyclohexan-1-amine (CID 71968702) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylcyclohexan-1-amine?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylcyclohexan-1-amine is Cc1cc(CNC2(c3ccccc3)CCCCC2)no1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylcyclohexan-1-amine?
The InChIKey is IWMOYETXXKNSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-14-12-16(19-20-14)13-18-17(10-6-3-7-11-17)15-8-4-2-5-9-15/h2,4-5,8-9,12,18H,3,6-7,10-11,13H2,1H3.
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylcyclohexan-1-amine?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylcyclohexan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylcyclohexan-1-amine is sourced from PubChem (CID 71968702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).