2-[(3,4-dimethylcyclohexyl)oxymethyl]-1,3-benzoxazol-5-amine

C16H22N2O2 — CID 79973320

IUPAC2-[(3,4-dimethylcyclohexyl)oxymethyl]-1,3-benzoxazol-5-amine
SMILESCC1CCC(OCc2nc3cc(N)ccc3o2)CC1C
InChIInChI=1S/C16H22N2O2/c1-10-3-5-13(7-11(10)2)19-9-16-18-14-8-12(17)4-6-15(14)20-16/h4,6,8,10-11,13H,3,5,7,9,17H2,1-2H3
InChIKeyWSVFCUAEQDLKBS-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.75
Rot. Bonds3

About 2-[(3,4-dimethylcyclohexyl)oxymethyl]-1,3-benzoxazol-5-amine

2-[(3,4-dimethylcyclohexyl)oxymethyl]-1,3-benzoxazol-5-amine (PubChem CID 79973320) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[(3,4-dimethylcyclohexyl)oxymethyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-[(3,4-dimethylcyclohexyl)oxymethyl]-1,3-benzoxazol-5-amine
PubChem CID79973320
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[(3,4-dimethylcyclohexyl)oxymethyl]-1,3-benzoxazol-5-amine
SMILESCC1CCC(OCc2nc3cc(N)ccc3o2)CC1C
InChIInChI=1S/C16H22N2O2/c1-10-3-5-13(7-11(10)2)19-9-16-18-14-8-12(17)4-6-15(14)20-16/h4,6,8,10-11,13H,3,5,7,9,17H2,1-2H3
InChIKeyWSVFCUAEQDLKBS-UHFFFAOYSA-N
XLogP3.75
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Aminophenyl)benzoxazol-5-amine
CID 614385
2-(2-Methylphenyl)-1,3-benzoxazol-5-amine
CID 644436
2-(1-Naphthyl)-1,3-benzoxazol-5-amine
CID 650480
2-(4-Ethylphenyl)-1,3-benzoxazol-5-amine
CID 721074
(2s)-2-(Naphthalen-1-Yloxy)-N-[2-(Pyridin-4-Yl)-1,3-Benzoxazol-5-Yl]propanamide
CID 71297189
N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 750297
Acetamide, n-(2-methyl-5-benzoxazolyl)-
CID 275495
N-(2-phenyl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 713013
2-(4-Methylphenyl)-1,3-benzoxazol-5-amine
CID 721879
2-(4-Tert-butylphenyl)-1,3-benzoxazol-5-amine
CID 721881
2-Cyclohexyl-5-nitro-1,3-benzoxazole
CID 1160324
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-phenylmethoxybenzamide
CID 4282462

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylcyclohexyl)oxymethyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-[(3,4-dimethylcyclohexyl)oxymethyl]-1,3-benzoxazol-5-amine (CID 79973320) is 2-[(3,4-dimethylcyclohexyl)oxymethyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-[(3,4-dimethylcyclohexyl)oxymethyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-[(3,4-dimethylcyclohexyl)oxymethyl]-1,3-benzoxazol-5-amine is CC1CCC(OCc2nc3cc(N)ccc3o2)CC1C.
What is the InChIKey of 2-[(3,4-dimethylcyclohexyl)oxymethyl]-1,3-benzoxazol-5-amine?
The InChIKey is WSVFCUAEQDLKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-3-5-13(7-11(10)2)19-9-16-18-14-8-12(17)4-6-15(14)20-16/h4,6,8,10-11,13H,3,5,7,9,17H2,1-2H3.
What are the key properties of 2-[(3,4-dimethylcyclohexyl)oxymethyl]-1,3-benzoxazol-5-amine?
2-[(3,4-dimethylcyclohexyl)oxymethyl]-1,3-benzoxazol-5-amine has a molecular weight of 274.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylcyclohexyl)oxymethyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 79973320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).