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

C14H22N2O2 — CID 42887904

IUPACN-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC1CCCC(C)C1C
InChIInChI=1S/C14H22N2O2/c1-8-6-5-7-12(9(8)2)15-14(17)13-10(3)16-18-11(13)4/h8-9,12H,5-7H2,1-4H3,(H,15,17)
InChIKeyHXORKQVNYQVWRR-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.85
Rot. Bonds2

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

N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 42887904) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID42887904
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC1CCCC(C)C1C
InChIInChI=1S/C14H22N2O2/c1-8-6-5-7-12(9(8)2)15-14(17)13-10(3)16-18-11(13)4/h8-9,12H,5-7H2,1-4H3,(H,15,17)
InChIKeyHXORKQVNYQVWRR-UHFFFAOYSA-N
XLogP2.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 62360696
[(2R)-1-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 11907804
[(2R)-1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 11907802
3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63044187
N-(4-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 43389638
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]furan-2-carboxamide
CID 40617423
N-(2,3-dimethylcyclohexyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112807013
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64812677
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide
CID 124811505
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 43594257
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide
CID 51969442
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide
CID 51969450

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 42887904) is N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC1CCCC(C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is HXORKQVNYQVWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-8-6-5-7-12(9(8)2)15-14(17)13-10(3)16-18-11(13)4/h8-9,12H,5-7H2,1-4H3,(H,15,17).
What are the key properties of N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 42887904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).