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

C7H9N3O3 — CID 60668189

IUPACN-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(N)=O)no1
InChIInChI=1S/C7H9N3O3/c1-4-2-5(10-13-4)7(12)9-3-6(8)11/h2H,3H2,1H3,(H2,8,11)(H,9,12)
InChIKeyKZVNQQXWOAUJOJ-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.80
Rot. Bonds3

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

N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 60668189) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID60668189
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC NameN-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(N)=O)no1
InChIInChI=1S/C7H9N3O3/c1-4-2-5(10-13-4)7(12)9-3-6(8)11/h2H,3H2,1H3,(H2,8,11)(H,9,12)
InChIKeyKZVNQQXWOAUJOJ-UHFFFAOYSA-N
XLogP-0.80
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 115636549
5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide
CID 59224444
N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
CID 21297353
N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 83030687
N-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 143192635
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
methyl 2-bromo-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 103492671
N-[(2S)-1-amino-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 130166246
5-methyl-N-[(2S)-2-methyl-3-(methylamino)propyl]-1,2-oxazole-3-carboxamide
CID 97325190
N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104872804
5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 78956870

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 60668189) is N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCC(N)=O)no1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is KZVNQQXWOAUJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-4-2-5(10-13-4)7(12)9-3-6(8)11/h2H,3H2,1H3,(H2,8,11)(H,9,12).
What are the key properties of N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 183.17 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 60668189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).