N-[4-(aminomethyl)cyclohexyl]-6-methoxy-1,3-benzoxazol-2-amine

C15H21N3O2 — CID 69173935

IUPACN-[4-(aminomethyl)cyclohexyl]-6-methoxy-1,3-benzoxazol-2-amine
SMILESCOc1ccc2nc(NC3CCC(CN)CC3)oc2c1
InChIInChI=1S/C15H21N3O2/c1-19-12-6-7-13-14(8-12)20-15(18-13)17-11-4-2-10(9-16)3-5-11/h6-8,10-11H,2-5,9,16H2,1H3,(H,17,18)
InChIKeyKWVQIABZWRXUDK-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.77
Rot. Bonds4

About N-[4-(aminomethyl)cyclohexyl]-6-methoxy-1,3-benzoxazol-2-amine

N-[4-(aminomethyl)cyclohexyl]-6-methoxy-1,3-benzoxazol-2-amine (PubChem CID 69173935) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[4-(aminomethyl)cyclohexyl]-6-methoxy-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)cyclohexyl]-6-methoxy-1,3-benzoxazol-2-amine
PubChem CID69173935
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[4-(aminomethyl)cyclohexyl]-6-methoxy-1,3-benzoxazol-2-amine
SMILESCOc1ccc2nc(NC3CCC(CN)CC3)oc2c1
InChIInChI=1S/C15H21N3O2/c1-19-12-6-7-13-14(8-12)20-15(18-13)17-11-4-2-10(9-16)3-5-11/h6-8,10-11H,2-5,9,16H2,1H3,(H,17,18)
InChIKeyKWVQIABZWRXUDK-UHFFFAOYSA-N
XLogP2.77
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(aminomethyl)cyclohexyl]-6-methoxy-1,3-benzoxazol-2-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 N-[4-(aminomethyl)cyclohexyl]-6-methoxy-1,3-benzoxazol-2-amine?
The IUPAC name of N-[4-(aminomethyl)cyclohexyl]-6-methoxy-1,3-benzoxazol-2-amine (CID 69173935) is N-[4-(aminomethyl)cyclohexyl]-6-methoxy-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[4-(aminomethyl)cyclohexyl]-6-methoxy-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[4-(aminomethyl)cyclohexyl]-6-methoxy-1,3-benzoxazol-2-amine is COc1ccc2nc(NC3CCC(CN)CC3)oc2c1.
What is the InChIKey of N-[4-(aminomethyl)cyclohexyl]-6-methoxy-1,3-benzoxazol-2-amine?
The InChIKey is KWVQIABZWRXUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-19-12-6-7-13-14(8-12)20-15(18-13)17-11-4-2-10(9-16)3-5-11/h6-8,10-11H,2-5,9,16H2,1H3,(H,17,18).
What are the key properties of N-[4-(aminomethyl)cyclohexyl]-6-methoxy-1,3-benzoxazol-2-amine?
N-[4-(aminomethyl)cyclohexyl]-6-methoxy-1,3-benzoxazol-2-amine has a molecular weight of 275.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)cyclohexyl]-6-methoxy-1,3-benzoxazol-2-amine is sourced from PubChem (CID 69173935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).