N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C12H18N2O3 — CID 62360696

IUPACN-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC1CCCCC1O
InChIInChI=1S/C12H18N2O3/c1-7-11(8(2)17-14-7)12(16)13-9-5-3-4-6-10(9)15/h9-10,15H,3-6H2,1-2H3,(H,13,16)
InChIKeyRMYCJZVKODOZSR-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.32
Rot. Bonds2

About N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 62360696) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID62360696
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC1CCCCC1O
InChIInChI=1S/C12H18N2O3/c1-7-11(8(2)17-14-7)12(16)13-9-5-3-4-6-10(9)15/h9-10,15H,3-6H2,1-2H3,(H,13,16)
InChIKeyRMYCJZVKODOZSR-UHFFFAOYSA-N
XLogP1.32
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104927948
N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 42887904
N-(4-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 43389638
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104957455
N-[(1S,2S)-2-hydroxycyclooctyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 154563876
N-(2-hydroxycyclohexyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 62359400
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide
CID 104957100
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide
CID 104927715
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 104956999
3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63044187
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 43594257
2,3,4,5,6-pentafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 102739213

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 62360696) is N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is RMYCJZVKODOZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7-11(8(2)17-14-7)12(16)13-9-5-3-4-6-10(9)15/h9-10,15H,3-6H2,1-2H3,(H,13,16).
What are the key properties of N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 62360696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).