N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine

C18H23FN2O — CID 112815161

IUPACN-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H23FN2O/c1-13-5-3-4-6-16(13)21(2)12-18-20-11-17(22-18)14-7-9-15(19)10-8-14/h7-11,13,16H,3-6,12H2,1-2H3
InChIKeyCDFFBLNXMVPCFD-UHFFFAOYSA-N
MW302.39 g/mol
LogP4.49
Rot. Bonds4

About N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine

N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine (PubChem CID 112815161) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine
PubChem CID112815161
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC NameN-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H23FN2O/c1-13-5-3-4-6-16(13)21(2)12-18-20-11-17(22-18)14-7-9-15(19)10-8-14/h7-11,13,16H,3-6,12H2,1-2H3
InChIKeyCDFFBLNXMVPCFD-UHFFFAOYSA-N
XLogP4.49
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,2-dimethylcyclohexan-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 N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine (CID 112815161) is N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine is CC1CCCCC1N(C)Cc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
The InChIKey is CDFFBLNXMVPCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O/c1-13-5-3-4-6-16(13)21(2)12-18-20-11-17(22-18)14-7-9-15(19)10-8-14/h7-11,13,16H,3-6,12H2,1-2H3.
What are the key properties of N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine has a molecular weight of 302.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 112815161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).