5-carbamoyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid

C8H10N2O4 — CID 15790267

IUPAC5-carbamoyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid
SMILESCC(C)c1noc(C(N)=O)c1C(=O)O
InChIInChI=1S/C8H10N2O4/c1-3(2)5-4(8(12)13)6(7(9)11)14-10-5/h3H,1-2H3,(H2,9,11)(H,12,13)
InChIKeyLHFYHPXRDOGSDB-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.60
Rot. Bonds3

About 5-carbamoyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid

5-carbamoyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 15790267) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 5-carbamoyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-carbamoyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid
PubChem CID15790267
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name5-carbamoyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid
SMILESCC(C)c1noc(C(N)=O)c1C(=O)O
InChIInChI=1S/C8H10N2O4/c1-3(2)5-4(8(12)13)6(7(9)11)14-10-5/h3H,1-2H3,(H2,9,11)(H,12,13)
InChIKeyLHFYHPXRDOGSDB-UHFFFAOYSA-N
XLogP0.60
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Ethyl-3-methyl-1,2-oxazole-4-carboxylic acid
CID 3918899
3-Methyl-5-(propan-2-yl)-1,2-oxazole-4-carboxylic acid
CID 4962165
5-Cyclopropyl-3-methyl-1,2-oxazole-4-carboxylic acid
CID 28275750
5-methyl-3-propyl-1,2-oxazole-4-carboxylic Acid
CID 2727349
3,5-Diethyl-isoxazole-4-carboxylic acid
CID 2758242
3-Isopropyl-5-methyl-isoxazole-4-carboxylic acid
CID 6484242
3-methyl-5-[(1R)-1-(3-methylbutanoylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368334
5-Tert-butylaminocarbonyl-3-isopropylisoxazole-4-carboxylic acid
CID 14990281
5-Tert-butylaminocarbonyl-3-methylisoxazole-4-carboxylic acid
CID 15692972
5-(Cyclopropylcarbamoyl)-3-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 15693004
5-Carbamoyl-3-(sulfanylmethyl)-1,2-oxazole-4-carboxylic acid
CID 90779127
4-Carbamoyl-3-methyl-1,2-oxazole-5-carboxylic acid
CID 12793482

Frequently Asked Questions

What is the IUPAC name of 5-carbamoyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-carbamoyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid (CID 15790267) is 5-carbamoyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-carbamoyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-carbamoyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid is CC(C)c1noc(C(N)=O)c1C(=O)O.
What is the InChIKey of 5-carbamoyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is LHFYHPXRDOGSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-3(2)5-4(8(12)13)6(7(9)11)14-10-5/h3H,1-2H3,(H2,9,11)(H,12,13).
What are the key properties of 5-carbamoyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid?
5-carbamoyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 198.18 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoyl-3-propan-2-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 15790267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).