4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]cyclohexan-1-ol

C13H22N2O2 — CID 106125172

IUPAC4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1noc(C)c1CNCC1CCC(O)CC1
InChIInChI=1S/C13H22N2O2/c1-9-13(10(2)17-15-9)8-14-7-11-3-5-12(16)6-4-11/h11-12,14,16H,3-8H2,1-2H3
InChIKeyAFVYQYBPIZIULY-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.93
Rot. Bonds4

About 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]cyclohexan-1-ol

4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 106125172) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID106125172
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1noc(C)c1CNCC1CCC(O)CC1
InChIInChI=1S/C13H22N2O2/c1-9-13(10(2)17-15-9)8-14-7-11-3-5-12(16)6-4-11/h11-12,14,16H,3-8H2,1-2H3
InChIKeyAFVYQYBPIZIULY-UHFFFAOYSA-N
XLogP1.93
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417485
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine
CID 93420640
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
1-(cyclopropylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylguanidine;hydroiodide
CID 119149389
1-[(3S)-1-(4-bromophenyl)pyrrolidin-3-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
CID 124694514
trans-(1R,2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclopentan-1-ol
CID 102733691
5-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid
CID 103255665
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626255
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
CID 79236572
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol
CID 28833064
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95302274
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43183574

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]cyclohexan-1-ol (CID 106125172) is 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]cyclohexan-1-ol is Cc1noc(C)c1CNCC1CCC(O)CC1.
What is the InChIKey of 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is AFVYQYBPIZIULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9-13(10(2)17-15-9)8-14-7-11-3-5-12(16)6-4-11/h11-12,14,16H,3-8H2,1-2H3.
What are the key properties of 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106125172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).