2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine

C14H16ClFN2O — CID 83217082

IUPAC2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine
SMILESCC1(c2nc3cc(Cl)c(F)cc3o2)CCCCC1N
InChIInChI=1S/C14H16ClFN2O/c1-14(5-3-2-4-12(14)17)13-18-10-6-8(15)9(16)7-11(10)19-13/h6-7,12H,2-5,17H2,1H3
InChIKeyRNTRZFDIPWHULA-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.78
Rot. Bonds1

About 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine

2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine (PubChem CID 83217082) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine
PubChem CID83217082
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine
SMILESCC1(c2nc3cc(Cl)c(F)cc3o2)CCCCC1N
InChIInChI=1S/C14H16ClFN2O/c1-14(5-3-2-4-12(14)17)13-18-10-6-8(15)9(16)7-11(10)19-13/h6-7,12H,2-5,17H2,1H3
InChIKeyRNTRZFDIPWHULA-UHFFFAOYSA-N
XLogP3.78
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylcyclohexan-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

Related Compounds

2-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine
CID 102696699
5-chloro-6-fluoro-2-(4-methylpiperidin-4-yl)-1,3-benzoxazole
CID 82720963
5-chloro-6-fluoro-2-(3-propan-2-ylpyrrolidin-3-yl)-1,3-benzoxazole
CID 106983533
2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 83211082
3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)oxolan-3-amine
CID 82720658
1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclohexan-1-amine
CID 82720037
2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82763018
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82762337
2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82762268
4-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 82720762
5-chloro-6-fluoro-2-piperidin-3-yl-1,3-benzoxazole
CID 82720359
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
CID 83209965

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine?
The IUPAC name of 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine (CID 83217082) is 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine?
The canonical SMILES for 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine is CC1(c2nc3cc(Cl)c(F)cc3o2)CCCCC1N.
What is the InChIKey of 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine?
The InChIKey is RNTRZFDIPWHULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c1-14(5-3-2-4-12(14)17)13-18-10-6-8(15)9(16)7-11(10)19-13/h6-7,12H,2-5,17H2,1H3.
What are the key properties of 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine?
2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine has a molecular weight of 282.75 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 83217082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).