5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide

C10H14N2O3 — CID 59224444

IUPAC5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)C(C)C)no1
InChIInChI=1S/C10H14N2O3/c1-6(2)9(13)5-11-10(14)8-4-7(3)15-12-8/h4,6H,5H2,1-3H3,(H,11,14)
InChIKeyODTNATWYUQMTHD-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.94
Rot. Bonds4

About 5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide

5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide (PubChem CID 59224444) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide
PubChem CID59224444
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)C(C)C)no1
InChIInChI=1S/C10H14N2O3/c1-6(2)9(13)5-11-10(14)8-4-7(3)15-12-8/h4,6H,5H2,1-3H3,(H,11,14)
InChIKeyODTNATWYUQMTHD-UHFFFAOYSA-N
XLogP0.94
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 60668189
N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 83030687
N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 115636549
5-methyl-N-[(2S)-2-methyl-3-(methylamino)propyl]-1,2-oxazole-3-carboxamide
CID 97325190
N-[(2R)-2-(ethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 120654528
N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
CID 21297353
N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104872804
5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 51333269
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 110279895
5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157356
5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 56822305
5-methyl-N-[4-[10-[4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-oxobutyl]sulfanyldecylsulfanyl]-2-oxobutyl]-1,2-oxazole-3-carboxamide
CID 70402340

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide (CID 59224444) is 5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCC(=O)C(C)C)no1.
What is the InChIKey of 5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ODTNATWYUQMTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(2)9(13)5-11-10(14)8-4-7(3)15-12-8/h4,6H,5H2,1-3H3,(H,11,14).
What are the key properties of 5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide has a molecular weight of 210.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 59224444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).