4-(1,3-benzoxazol-2-yl)-N-methylcyclohexan-1-amine

C14H18N2O — CID 116999923

IUPAC4-(1,3-benzoxazol-2-yl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C14H18N2O/c1-15-11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyYCAFJJCMPVUPDN-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.07
Rot. Bonds2

About 4-(1,3-benzoxazol-2-yl)-N-methylcyclohexan-1-amine

4-(1,3-benzoxazol-2-yl)-N-methylcyclohexan-1-amine (PubChem CID 116999923) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-N-methylcyclohexan-1-amine
PubChem CID116999923
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-(1,3-benzoxazol-2-yl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C14H18N2O/c1-15-11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyYCAFJJCMPVUPDN-UHFFFAOYSA-N
XLogP3.07
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)cyclohexyl]-2-chloro-2-fluoroacetamide
CID 166428062
4-(1,3-benzoxazol-2-yl)-N-ethylpiperidine-1-carbothioamide
CID 43815862
2-(7-bicyclo[4.1.0]heptanyl)-1,3-benzoxazole
CID 122234958
4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide
CID 3761940
4-(1,3-benzoxazol-2-yl)-N-phenylpiperidine-1-carbothioamide
CID 1430254
4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
CID 644531
2-[(2R)-oxolan-2-yl]-1,3-benzoxazole
CID 122232513
4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 1429802
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-bromobutan-1-one
CID 62856831
ethyl 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoacetate
CID 21007968
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole
CID 21008046
methyl 5-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylate
CID 35186967

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-methylcyclohexan-1-amine (CID 116999923) is 4-(1,3-benzoxazol-2-yl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-N-methylcyclohexan-1-amine is CNC1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-N-methylcyclohexan-1-amine?
The InChIKey is YCAFJJCMPVUPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-15-11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14/h2-5,10-11,15H,6-9H2,1H3.
What are the key properties of 4-(1,3-benzoxazol-2-yl)-N-methylcyclohexan-1-amine?
4-(1,3-benzoxazol-2-yl)-N-methylcyclohexan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116999923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).