N-cyclohexyl-5-(3,4-diethoxyphenyl)-1,3-benzoxazol-2-amine

C23H28N2O3 — CID 68656484

IUPACN-cyclohexyl-5-(3,4-diethoxyphenyl)-1,3-benzoxazol-2-amine
SMILESCCOc1ccc(-c2ccc3oc(NC4CCCCC4)nc3c2)cc1OCC
InChIInChI=1S/C23H28N2O3/c1-3-26-21-13-11-17(15-22(21)27-4-2)16-10-12-20-19(14-16)25-23(28-20)24-18-8-6-5-7-9-18/h10-15,18H,3-9H2,1-2H3,(H,24,25)
InChIKeyDWKPLYHDJRSVAP-UHFFFAOYSA-N
MW380.49 g/mol
LogP6.04
Rot. Bonds7

About N-cyclohexyl-5-(3,4-diethoxyphenyl)-1,3-benzoxazol-2-amine

N-cyclohexyl-5-(3,4-diethoxyphenyl)-1,3-benzoxazol-2-amine (PubChem CID 68656484) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-cyclohexyl-5-(3,4-diethoxyphenyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-(3,4-diethoxyphenyl)-1,3-benzoxazol-2-amine
PubChem CID68656484
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-cyclohexyl-5-(3,4-diethoxyphenyl)-1,3-benzoxazol-2-amine
SMILESCCOc1ccc(-c2ccc3oc(NC4CCCCC4)nc3c2)cc1OCC
InChIInChI=1S/C23H28N2O3/c1-3-26-21-13-11-17(15-22(21)27-4-2)16-10-12-20-19(14-16)25-23(28-20)24-18-8-6-5-7-9-18/h10-15,18H,3-9H2,1-2H3,(H,24,25)
InChIKeyDWKPLYHDJRSVAP-UHFFFAOYSA-N
XLogP6.04
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-5-(3,4-diethoxyphenyl)-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

Related Compounds

5-(4-aminophenyl)-N-cyclohexyl-1,3-benzoxazol-2-amine
CID 45279549
5-(2-butan-2-yl-1H-indol-5-yl)-N-cyclohexyl-1,3-benzoxazol-2-amine
CID 91427328
N-cyclohexyl-5-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazol-2-amine
CID 45279829
N-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine
CID 68657492
6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one
CID 70903060
N-cyclohexyl-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 58896893
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-nitro-1,3-benzoxazol-2-amine
CID 46882579
N-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
CID 68658294
N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-nitro-1,3-benzoxazol-2-amine
CID 68696420
2-N-[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-1,3-benzoxazole-2,5-diamine
CID 69250718
6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-1,4-dihydro-3,1-benzoxazin-2-one
CID 70903063
N-[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-5-nitro-1,3-benzoxazol-2-amine
CID 68698730

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(3,4-diethoxyphenyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-cyclohexyl-5-(3,4-diethoxyphenyl)-1,3-benzoxazol-2-amine (CID 68656484) is N-cyclohexyl-5-(3,4-diethoxyphenyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-cyclohexyl-5-(3,4-diethoxyphenyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-cyclohexyl-5-(3,4-diethoxyphenyl)-1,3-benzoxazol-2-amine is CCOc1ccc(-c2ccc3oc(NC4CCCCC4)nc3c2)cc1OCC.
What is the InChIKey of N-cyclohexyl-5-(3,4-diethoxyphenyl)-1,3-benzoxazol-2-amine?
The InChIKey is DWKPLYHDJRSVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-26-21-13-11-17(15-22(21)27-4-2)16-10-12-20-19(14-16)25-23(28-20)24-18-8-6-5-7-9-18/h10-15,18H,3-9H2,1-2H3,(H,24,25).
What are the key properties of N-cyclohexyl-5-(3,4-diethoxyphenyl)-1,3-benzoxazol-2-amine?
N-cyclohexyl-5-(3,4-diethoxyphenyl)-1,3-benzoxazol-2-amine has a molecular weight of 380.49 g/mol, XLogP of 6.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(3,4-diethoxyphenyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 68656484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).