2-ethyl-N-(4-methylcycloheptyl)-1,3-benzoxazol-5-amine

C17H24N2O — CID 65080430

IUPAC2-ethyl-N-(4-methylcycloheptyl)-1,3-benzoxazol-5-amine
SMILESCCc1nc2cc(NC3CCCC(C)CC3)ccc2o1
InChIInChI=1S/C17H24N2O/c1-3-17-19-15-11-14(9-10-16(15)20-17)18-13-6-4-5-12(2)7-8-13/h9-13,18H,3-8H2,1-2H3
InChIKeyOFOXGSRSFUGHML-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.77
Rot. Bonds3

About 2-ethyl-N-(4-methylcycloheptyl)-1,3-benzoxazol-5-amine

2-ethyl-N-(4-methylcycloheptyl)-1,3-benzoxazol-5-amine (PubChem CID 65080430) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-ethyl-N-(4-methylcycloheptyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-ethyl-N-(4-methylcycloheptyl)-1,3-benzoxazol-5-amine
PubChem CID65080430
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-ethyl-N-(4-methylcycloheptyl)-1,3-benzoxazol-5-amine
SMILESCCc1nc2cc(NC3CCCC(C)CC3)ccc2o1
InChIInChI=1S/C17H24N2O/c1-3-17-19-15-11-14(9-10-16(15)20-17)18-13-6-4-5-12(2)7-8-13/h9-13,18H,3-8H2,1-2H3
InChIKeyOFOXGSRSFUGHML-UHFFFAOYSA-N
XLogP4.77
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-methylcycloheptyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-ethyl-N-(4-methylcycloheptyl)-1,3-benzoxazol-5-amine (CID 65080430) is 2-ethyl-N-(4-methylcycloheptyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-ethyl-N-(4-methylcycloheptyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-ethyl-N-(4-methylcycloheptyl)-1,3-benzoxazol-5-amine is CCc1nc2cc(NC3CCCC(C)CC3)ccc2o1.
What is the InChIKey of 2-ethyl-N-(4-methylcycloheptyl)-1,3-benzoxazol-5-amine?
The InChIKey is OFOXGSRSFUGHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-17-19-15-11-14(9-10-16(15)20-17)18-13-6-4-5-12(2)7-8-13/h9-13,18H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-N-(4-methylcycloheptyl)-1,3-benzoxazol-5-amine?
2-ethyl-N-(4-methylcycloheptyl)-1,3-benzoxazol-5-amine has a molecular weight of 272.39 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-methylcycloheptyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 65080430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).