1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclohexan-1-amine

C14H16ClFN2O — CID 82720037

IUPAC1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclohexan-1-amine
SMILESNC1(Cc2nc3cc(Cl)c(F)cc3o2)CCCCC1
InChIInChI=1S/C14H16ClFN2O/c15-9-6-11-12(7-10(9)16)19-13(18-11)8-14(17)4-2-1-3-5-14/h6-7H,1-5,8,17H2
InChIKeyMKOIFSPJMRBPFV-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.82
Rot. Bonds2

About 1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclohexan-1-amine

1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 82720037) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is 1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID82720037
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclohexan-1-amine
SMILESNC1(Cc2nc3cc(Cl)c(F)cc3o2)CCCCC1
InChIInChI=1S/C14H16ClFN2O/c15-9-6-11-12(7-10(9)16)19-13(18-11)8-14(17)4-2-1-3-5-14/h6-7H,1-5,8,17H2
InChIKeyMKOIFSPJMRBPFV-UHFFFAOYSA-N
XLogP3.82
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine
CID 64793233
2-[1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentyl]acetic acid
CID 82721742
N-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 82719835
1-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-3-methylbutan-2-amine
CID 82720461
3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)oxolan-3-amine
CID 82720658
6-chloro-2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazole
CID 82231943
2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine
CID 83217082
N-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 82720453
5-chloro-6-fluoro-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole
CID 82720864
4-[1-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)propan-2-yl]aniline
CID 104503233
N-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine
CID 82720961
3-(5,6-dichloro-1,3-benzoxazol-2-yl)propan-1-amine
CID 82232079

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclohexan-1-amine (CID 82720037) is 1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclohexan-1-amine is NC1(Cc2nc3cc(Cl)c(F)cc3o2)CCCCC1.
What is the InChIKey of 1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is MKOIFSPJMRBPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c15-9-6-11-12(7-10(9)16)19-13(18-11)8-14(17)4-2-1-3-5-14/h6-7H,1-5,8,17H2.
What are the key properties of 1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclohexan-1-amine?
1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 282.75 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 82720037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).