3-methoxy-N-(2-methylcyclohexyl)-1,2-oxazole-5-carboxamide

C12H18N2O3 — CID 90573788

IUPAC3-methoxy-N-(2-methylcyclohexyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC2CCCCC2C)on1
InChIInChI=1S/C12H18N2O3/c1-8-5-3-4-6-9(8)13-12(15)10-7-11(16-2)14-17-10/h7-9H,3-6H2,1-2H3,(H,13,15)
InChIKeyMJRKWYMUKUUBBT-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.99
Rot. Bonds3

About 3-methoxy-N-(2-methylcyclohexyl)-1,2-oxazole-5-carboxamide

3-methoxy-N-(2-methylcyclohexyl)-1,2-oxazole-5-carboxamide (PubChem CID 90573788) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-methoxy-N-(2-methylcyclohexyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(2-methylcyclohexyl)-1,2-oxazole-5-carboxamide
PubChem CID90573788
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-methoxy-N-(2-methylcyclohexyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC2CCCCC2C)on1
InChIInChI=1S/C12H18N2O3/c1-8-5-3-4-6-9(8)13-12(15)10-7-11(16-2)14-17-10/h7-9H,3-6H2,1-2H3,(H,13,15)
InChIKeyMJRKWYMUKUUBBT-UHFFFAOYSA-N
XLogP1.99
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-((S)-3-methoxy-1-((S)-3-methoxy-1-((S)-4-methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-ylamino)-1-oxopropan-2-ylamino)-1-oxopropan-2-yl)isoxazole-5-carboxamide
CID 25126032
3,7-Diazabicyclo[3.3.1]nonan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 24945460
3-methoxy-N-(3-(2-oxopyrrolidin-1-yl)propyl)isoxazole-5-carboxamide
CID 71802447
3-methoxy-N-(2,2,2-trifluoroethyl)isoxazole-5-carboxamide
CID 71802478
3-methoxy-N-[(1-methylcycloheptyl)methyl]-1,2-oxazole-5-carboxamide
CID 75455151
N-(1-cyano-1-methylethyl)-3-methoxy-1,2-oxazole-5-carboxamide
CID 100685116
N-[(1S)-3-hydroxy-1-(oxan-4-yl)propyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 164638710
3-methoxy-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-5-carboxamide
CID 11712874
N-(2-adamantyl)-3-[3-(2-aminoethylamino)-2,2-difluoro-3-oxopropoxy]-1,2-oxazole-5-carboxamide
CID 59436792
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 128972837
N-[(3R,6R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129345631
N-[(3R,6S)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129345632

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methylcyclohexyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-(2-methylcyclohexyl)-1,2-oxazole-5-carboxamide (CID 90573788) is 3-methoxy-N-(2-methylcyclohexyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-(2-methylcyclohexyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-(2-methylcyclohexyl)-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NC2CCCCC2C)on1.
What is the InChIKey of 3-methoxy-N-(2-methylcyclohexyl)-1,2-oxazole-5-carboxamide?
The InChIKey is MJRKWYMUKUUBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-5-3-4-6-9(8)13-12(15)10-7-11(16-2)14-17-10/h7-9H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 3-methoxy-N-(2-methylcyclohexyl)-1,2-oxazole-5-carboxamide?
3-methoxy-N-(2-methylcyclohexyl)-1,2-oxazole-5-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methylcyclohexyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90573788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).