N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide

C11H16N2O3 — CID 104957455

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCCC[C@@H]2O)no1
InChIInChI=1S/C11H16N2O3/c1-7-6-9(13-16-7)11(15)12-8-4-2-3-5-10(8)14/h6,8,10,14H,2-5H2,1H3,(H,12,15)/t8-,10-/m0/s1
InChIKeyNRRAFJSEYGHEJL-WPRPVWTQSA-N
MW224.26 g/mol
LogP1.02
Rot. Bonds2

About N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 104957455) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID104957455
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCCC[C@@H]2O)no1
InChIInChI=1S/C11H16N2O3/c1-7-6-9(13-16-7)11(15)12-8-4-2-3-5-10(8)14/h6,8,10,14H,2-5H2,1H3,(H,12,15)/t8-,10-/m0/s1
InChIKeyNRRAFJSEYGHEJL-WPRPVWTQSA-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

trans-(1R,2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161364
N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 62360696
N-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 104957384
5-methyl-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 17173829
3-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104927948
5-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 122556576
N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 118766414
N-(4-aminocyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119477538
N-[(1S,2S)-2-hydroxycyclooctyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 154563876
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 104956999
N-[(3S,4S)-1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 164633980
N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 93205481

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 104957455) is N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2O)no1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is NRRAFJSEYGHEJL-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-6-9(13-16-7)11(15)12-8-4-2-3-5-10(8)14/h6,8,10,14H,2-5H2,1H3,(H,12,15)/t8-,10-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-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]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 104957455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).