2-cyclopropyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine

C16H20N2O2 — CID 65081682

IUPAC2-cyclopropyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine
SMILESc1cc2oc(C3CC3)nc2cc1NC1CCCOCC1
InChIInChI=1S/C16H20N2O2/c1-2-12(7-9-19-8-1)17-13-5-6-15-14(10-13)18-16(20-15)11-3-4-11/h5-6,10-12,17H,1-4,7-9H2
InChIKeyLIPKJWAZYKCHFZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.69
Rot. Bonds3

About 2-cyclopropyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine

2-cyclopropyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine (PubChem CID 65081682) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine
PubChem CID65081682
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-cyclopropyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine
SMILESc1cc2oc(C3CC3)nc2cc1NC1CCCOCC1
InChIInChI=1S/C16H20N2O2/c1-2-12(7-9-19-8-1)17-13-5-6-15-14(10-13)18-16(20-15)11-3-4-11/h5-6,10-12,17H,1-4,7-9H2
InChIKeyLIPKJWAZYKCHFZ-UHFFFAOYSA-N
XLogP3.69
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-cyclopropyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine (CID 65081682) is 2-cyclopropyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-cyclopropyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine is c1cc2oc(C3CC3)nc2cc1NC1CCCOCC1.
What is the InChIKey of 2-cyclopropyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine?
The InChIKey is LIPKJWAZYKCHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-12(7-9-19-8-1)17-13-5-6-15-14(10-13)18-16(20-15)11-3-4-11/h5-6,10-12,17H,1-4,7-9H2.
What are the key properties of 2-cyclopropyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine?
2-cyclopropyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine has a molecular weight of 272.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 65081682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).