N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-1,2-oxazole-5-carboxamide

C11H16N2O3 — CID 104956999

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C11H16N2O3/c1-7-6-12-16-10(7)11(15)13-8-4-2-3-5-9(8)14/h6,8-9,14H,2-5H2,1H3,(H,13,15)/t8-,9-/m0/s1
InChIKeyWCILXMMXISUAIB-IUCAKERBSA-N
MW224.26 g/mol
LogP1.02
Rot. Bonds2

About N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-1,2-oxazole-5-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 104956999) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID104956999
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C11H16N2O3/c1-7-6-12-16-10(7)11(15)13-8-4-2-3-5-9(8)14/h6,8-9,14H,2-5H2,1H3,(H,13,15)/t8-,9-/m0/s1
InChIKeyWCILXMMXISUAIB-IUCAKERBSA-N
XLogP1.02
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-5-carboxamide
CID 114695110
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104957455
N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 62360696
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide
CID 104957100
5-methyl-N-(2-methylcyclohexyl)-1,2-oxazole-4-carboxamide
CID 54393495
N-[(1S,2S)-2-hydroxycyclooctyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 154563876
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 104957396
N-(2-hydroxycyclohexyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 62359400
3-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104927948
2-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66335551
N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 104927400
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide
CID 104927715

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-1,2-oxazole-5-carboxamide (CID 104956999) is N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is WCILXMMXISUAIB-IUCAKERBSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-6-12-16-10(7)11(15)13-8-4-2-3-5-9(8)14/h6,8-9,14H,2-5H2,1H3,(H,13,15)/t8-,9-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-1,2-oxazole-5-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 104956999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).