N-(2,3-dimethylcyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine

C18H26N2O — CID 64762265

IUPACN-(2,3-dimethylcyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCC(C)c1nc2cc(NC3CCCC(C)C3C)ccc2o1
InChIInChI=1S/C18H26N2O/c1-11(2)18-20-16-10-14(8-9-17(16)21-18)19-15-7-5-6-12(3)13(15)4/h8-13,15,19H,5-7H2,1-4H3
InChIKeyNZSSTHGYWRGYRH-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.19
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine

N-(2,3-dimethylcyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine (PubChem CID 64762265) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
PubChem CID64762265
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCC(C)c1nc2cc(NC3CCCC(C)C3C)ccc2o1
InChIInChI=1S/C18H26N2O/c1-11(2)18-20-16-10-14(8-9-17(16)21-18)19-15-7-5-6-12(3)13(15)4/h8-13,15,19H,5-7H2,1-4H3
InChIKeyNZSSTHGYWRGYRH-UHFFFAOYSA-N
XLogP5.19
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine (CID 64762265) is N-(2,3-dimethylcyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine is CC(C)c1nc2cc(NC3CCCC(C)C3C)ccc2o1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
The InChIKey is NZSSTHGYWRGYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-11(2)18-20-16-10-14(8-9-17(16)21-18)19-15-7-5-6-12(3)13(15)4/h8-13,15,19H,5-7H2,1-4H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
N-(2,3-dimethylcyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine has a molecular weight of 286.42 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 64762265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).