4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol

C17H23N3O2 — CID 134457385

IUPAC4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol
SMILESCc1noc(C)c1-c1ccc(NC2CCC(O)CC2)c(N)c1
InChIInChI=1S/C17H23N3O2/c1-10-17(11(2)22-20-10)12-3-8-16(15(18)9-12)19-13-4-6-14(21)7-5-13/h3,8-9,13-14,19,21H,4-7,18H2,1-2H3
InChIKeyOQHSPQIICLIKMY-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.26
Rot. Bonds3

About 4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol

4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol (PubChem CID 134457385) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol
PubChem CID134457385
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol
SMILESCc1noc(C)c1-c1ccc(NC2CCC(O)CC2)c(N)c1
InChIInChI=1S/C17H23N3O2/c1-10-17(11(2)22-20-10)12-3-8-16(15(18)9-12)19-13-4-6-14(21)7-5-13/h3,8-9,13-14,19,21H,4-7,18H2,1-2H3
InChIKeyOQHSPQIICLIKMY-UHFFFAOYSA-N
XLogP3.26
TPSA84.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol 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-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol?
The IUPAC name of 4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol (CID 134457385) is 4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol?
The canonical SMILES for 4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol is Cc1noc(C)c1-c1ccc(NC2CCC(O)CC2)c(N)c1.
What is the InChIKey of 4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol?
The InChIKey is OQHSPQIICLIKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-10-17(11(2)22-20-10)12-3-8-16(15(18)9-12)19-13-4-6-14(21)7-5-13/h3,8-9,13-14,19,21H,4-7,18H2,1-2H3.
What are the key properties of 4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol?
4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol has a molecular weight of 301.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol is sourced from PubChem (CID 134457385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).