5-(methoxymethyl)-N-(4-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide

C12H19N3O3 — CID 114696404

IUPAC5-(methoxymethyl)-N-(4-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NC2(C)CCNCC2)no1
InChIInChI=1S/C12H19N3O3/c1-12(3-5-13-6-4-12)14-11(16)10-7-9(8-17-2)18-15-10/h7,13H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyCPIJMALIAJTCNM-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.69
Rot. Bonds4

About 5-(methoxymethyl)-N-(4-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide

5-(methoxymethyl)-N-(4-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide (PubChem CID 114696404) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-(4-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-(4-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
PubChem CID114696404
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name5-(methoxymethyl)-N-(4-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NC2(C)CCNCC2)no1
InChIInChI=1S/C12H19N3O3/c1-12(3-5-13-6-4-12)14-11(16)10-7-9(8-17-2)18-15-10/h7,13H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyCPIJMALIAJTCNM-UHFFFAOYSA-N
XLogP0.69
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Azaspiro[5.6]dodecan-2-yl-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 71926236
5-(methoxymethyl)-N-[2-(2-methylpropyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 75446716
5-(methoxymethyl)-N-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2,2,4,4-tetramethylcyclobutyl]-1,2-oxazole-3-carboxamide
CID 75534327
Methyl 3-(cycloheptylcarbamoyl)-1,2-oxazole-5-carboxylate
CID 121560384
N-[(1S)-1-cyclopropylethyl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 137993470
5-(methoxymethyl)-N-[(3S)-1-propanoylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 164631414
N-[(3R)-4,4-dimethyloxolan-3-yl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 164641962
N-(oxolan-3-ylmethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90325944
5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 129214844
4-(fluoromethyl)-5-(methoxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 132028108
4-(1-fluoroethyl)-5-(methoxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 132028116
4-(fluoromethyl)-5-(methoxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 132028120

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-(4-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-(4-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide (CID 114696404) is 5-(methoxymethyl)-N-(4-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-(4-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-(4-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)NC2(C)CCNCC2)no1.
What is the InChIKey of 5-(methoxymethyl)-N-(4-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is CPIJMALIAJTCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(3-5-13-6-4-12)14-11(16)10-7-9(8-17-2)18-15-10/h7,13H,3-6,8H2,1-2H3,(H,14,16).
What are the key properties of 5-(methoxymethyl)-N-(4-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide?
5-(methoxymethyl)-N-(4-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-(4-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 114696404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).