2-(5-formamido-1,2-oxazol-3-yl)-2-methylpropanoic acid

C8H10N2O4 — CID 143964815

IUPAC2-(5-formamido-1,2-oxazol-3-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cc(NC=O)on1
InChIInChI=1S/C8H10N2O4/c1-8(2,7(12)13)5-3-6(9-4-11)14-10-5/h3-4H,1-2H3,(H,9,11)(H,12,13)
InChIKeyGDSBKILGBQDUMZ-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.61
Rot. Bonds4

About 2-(5-formamido-1,2-oxazol-3-yl)-2-methylpropanoic acid

2-(5-formamido-1,2-oxazol-3-yl)-2-methylpropanoic acid (PubChem CID 143964815) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(5-formamido-1,2-oxazol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(5-formamido-1,2-oxazol-3-yl)-2-methylpropanoic acid
PubChem CID143964815
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(5-formamido-1,2-oxazol-3-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cc(NC=O)on1
InChIInChI=1S/C8H10N2O4/c1-8(2,7(12)13)5-3-6(9-4-11)14-10-5/h3-4H,1-2H3,(H,9,11)(H,12,13)
InChIKeyGDSBKILGBQDUMZ-UHFFFAOYSA-N
XLogP0.61
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-tert-butylsulfanyloxane;2-(5-formamido-1,2-oxazol-3-yl)-2-methylpropanoic acid
CID 143964814
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]acetamide
CID 89393055
ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide
CID 170582956
2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81223074
3-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466444
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-formylpiperidin-1-yl)acetamide
CID 62654108
phenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate
CID 66876524
2-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]propanamide
CID 67953233
2-bromo-2-methylpropane;N-(5-tert-butyl-1,2-oxazol-3-yl)formamide
CID 143651754
N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide
CID 155823225
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea
CID 59380959

Frequently Asked Questions

What is the IUPAC name of 2-(5-formamido-1,2-oxazol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(5-formamido-1,2-oxazol-3-yl)-2-methylpropanoic acid (CID 143964815) is 2-(5-formamido-1,2-oxazol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(5-formamido-1,2-oxazol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(5-formamido-1,2-oxazol-3-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1cc(NC=O)on1.
What is the InChIKey of 2-(5-formamido-1,2-oxazol-3-yl)-2-methylpropanoic acid?
The InChIKey is GDSBKILGBQDUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-8(2,7(12)13)5-3-6(9-4-11)14-10-5/h3-4H,1-2H3,(H,9,11)(H,12,13).
What are the key properties of 2-(5-formamido-1,2-oxazol-3-yl)-2-methylpropanoic acid?
2-(5-formamido-1,2-oxazol-3-yl)-2-methylpropanoic acid has a molecular weight of 198.18 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formamido-1,2-oxazol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 143964815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).