4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine

C20H30N4O — CID 59252287

IUPAC4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine
SMILESCc1ccc2onc(N3CCN(CCC4CCC(N)CC4)CC3)c2c1
InChIInChI=1S/C20H30N4O/c1-15-2-7-19-18(14-15)20(22-25-19)24-12-10-23(11-13-24)9-8-16-3-5-17(21)6-4-16/h2,7,14,16-17H,3-6,8-13,21H2,1H3
InChIKeyAREGRTNWKGGJJO-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.17
Rot. Bonds4

About 4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine

4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine (PubChem CID 59252287) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine
PubChem CID59252287
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine
SMILESCc1ccc2onc(N3CCN(CCC4CCC(N)CC4)CC3)c2c1
InChIInChI=1S/C20H30N4O/c1-15-2-7-19-18(14-15)20(22-25-19)24-12-10-23(11-13-24)9-8-16-3-5-17(21)6-4-16/h2,7,14,16-17H,3-6,8-13,21H2,1H3
InChIKeyAREGRTNWKGGJJO-UHFFFAOYSA-N
XLogP3.17
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-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 4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine (CID 59252287) is 4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine is Cc1ccc2onc(N3CCN(CCC4CCC(N)CC4)CC3)c2c1.
What is the InChIKey of 4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
The InChIKey is AREGRTNWKGGJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-15-2-7-19-18(14-15)20(22-25-19)24-12-10-23(11-13-24)9-8-16-3-5-17(21)6-4-16/h2,7,14,16-17H,3-6,8-13,21H2,1H3.
What are the key properties of 4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine has a molecular weight of 342.49 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 59252287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).