5-(methoxymethyl)-N-methyl-N-(4-oxocyclohexyl)-1,2-oxazole-3-carboxamide

C13H18N2O4 — CID 79119889

IUPAC5-(methoxymethyl)-N-methyl-N-(4-oxocyclohexyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)N(C)C2CCC(=O)CC2)no1
InChIInChI=1S/C13H18N2O4/c1-15(9-3-5-10(16)6-4-9)13(17)12-7-11(8-18-2)19-14-12/h7,9H,3-6,8H2,1-2H3
InChIKeyXCWLCVFRUJIHCI-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.40
Rot. Bonds4

About 5-(methoxymethyl)-N-methyl-N-(4-oxocyclohexyl)-1,2-oxazole-3-carboxamide

5-(methoxymethyl)-N-methyl-N-(4-oxocyclohexyl)-1,2-oxazole-3-carboxamide (PubChem CID 79119889) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-methyl-N-(4-oxocyclohexyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-methyl-N-(4-oxocyclohexyl)-1,2-oxazole-3-carboxamide
PubChem CID79119889
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-(methoxymethyl)-N-methyl-N-(4-oxocyclohexyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)N(C)C2CCC(=O)CC2)no1
InChIInChI=1S/C13H18N2O4/c1-15(9-3-5-10(16)6-4-9)13(17)12-7-11(8-18-2)19-14-12/h7,9H,3-6,8H2,1-2H3
InChIKeyXCWLCVFRUJIHCI-UHFFFAOYSA-N
XLogP1.40
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclopropyl-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 66156133
5-(methoxymethyl)-N-piperidin-4-yl-N-propyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119824672
N-cyclopropyl-5-(methoxymethyl)-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106628709
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025
5-(methoxymethyl)-N-piperidin-3-yl-N-propyl-1,2-oxazole-3-carboxamide
CID 66157781
N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 126801364
N-(3-amino-2,2-dimethylpropyl)-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 79651931
5-(methoxymethyl)-N-methyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 129339212
N-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66157522
5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide
CID 104638616
3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79118265
5-[(4-acetylphenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
CID 24793101

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-methyl-N-(4-oxocyclohexyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-methyl-N-(4-oxocyclohexyl)-1,2-oxazole-3-carboxamide (CID 79119889) is 5-(methoxymethyl)-N-methyl-N-(4-oxocyclohexyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-methyl-N-(4-oxocyclohexyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-methyl-N-(4-oxocyclohexyl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)N(C)C2CCC(=O)CC2)no1.
What is the InChIKey of 5-(methoxymethyl)-N-methyl-N-(4-oxocyclohexyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XCWLCVFRUJIHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-15(9-3-5-10(16)6-4-9)13(17)12-7-11(8-18-2)19-14-12/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-N-methyl-N-(4-oxocyclohexyl)-1,2-oxazole-3-carboxamide?
5-(methoxymethyl)-N-methyl-N-(4-oxocyclohexyl)-1,2-oxazole-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-methyl-N-(4-oxocyclohexyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 79119889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).