1-[(1,3-benzoxazol-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol

C16H22N2O2 — CID 65118611

IUPAC1-[(1,3-benzoxazol-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNc2nc3ccccc3o2)CC1
InChIInChI=1S/C16H22N2O2/c1-15(2)7-9-16(19,10-8-15)11-17-14-18-12-5-3-4-6-13(12)20-14/h3-6,19H,7-11H2,1-2H3,(H,17,18)
InChIKeyWDKMFCVSKRJHLQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.57
Rot. Bonds3

About 1-[(1,3-benzoxazol-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol

1-[(1,3-benzoxazol-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 65118611) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[(1,3-benzoxazol-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1,3-benzoxazol-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID65118611
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[(1,3-benzoxazol-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNc2nc3ccccc3o2)CC1
InChIInChI=1S/C16H22N2O2/c1-15(2)7-9-16(19,10-8-15)11-17-14-18-12-5-3-4-6-13(12)20-14/h3-6,19H,7-11H2,1-2H3,(H,17,18)
InChIKeyWDKMFCVSKRJHLQ-UHFFFAOYSA-N
XLogP3.57
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylcyclohexyl)methyl]-1,3-benzoxazol-2-amine
CID 114095046
1-[[(6-amino-1,3-benzoxazol-2-yl)amino]methyl]cyclopentan-1-ol
CID 79892875
N-[(5-methoxy-1,3,3-trimethylcyclohexyl)methyl]-1,3-benzoxazol-2-amine
CID 53345030
1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
CID 63118851
N-propyl-1,3-benzoxazol-2-amine
CID 584386
N-(1-methylcyclobutyl)-1,3-benzoxazol-2-amine
CID 115765396
N-[(6-methyl-1,4-oxazepan-6-yl)methyl]-1,3-benzoxazol-2-amine
CID 167812895
4,4-dimethyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol
CID 65118181
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-1,3-oxazole-4-carboxylic acid
CID 114093594
N-[(3,3-difluoro-1-methylpyrrolidin-2-yl)methyl]-1,3-benzoxazol-2-amine
CID 166810447
N-[[1-[[(5-methylsulfanylpyrimidin-2-yl)amino]methyl]cyclopropyl]methyl]-1,3-benzoxazol-2-amine
CID 154653982
N-(2-chloropropyl)-1,3-benzoxazol-2-amine
CID 65027470

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-benzoxazol-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(1,3-benzoxazol-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol (CID 65118611) is 1-[(1,3-benzoxazol-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(1,3-benzoxazol-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(1,3-benzoxazol-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol is CC1(C)CCC(O)(CNc2nc3ccccc3o2)CC1.
What is the InChIKey of 1-[(1,3-benzoxazol-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is WDKMFCVSKRJHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-15(2)7-9-16(19,10-8-15)11-17-14-18-12-5-3-4-6-13(12)20-14/h3-6,19H,7-11H2,1-2H3,(H,17,18).
What are the key properties of 1-[(1,3-benzoxazol-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol?
1-[(1,3-benzoxazol-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 274.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-benzoxazol-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65118611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).