2-(propanoylamino)-1,3-oxazole-5-carboxylic acid

C7H8N2O4 — CID 165486197

IUPAC2-(propanoylamino)-1,3-oxazole-5-carboxylic acid
SMILESCCC(=O)Nc1ncc(C(=O)O)o1
InChIInChI=1S/C7H8N2O4/c1-2-5(10)9-7-8-3-4(13-7)6(11)12/h3H,2H2,1H3,(H,11,12)(H,8,9,10)
InChIKeyDNACABDTGQHQDK-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.72
Rot. Bonds3

About 2-(propanoylamino)-1,3-oxazole-5-carboxylic acid

2-(propanoylamino)-1,3-oxazole-5-carboxylic acid (PubChem CID 165486197) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(propanoylamino)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(propanoylamino)-1,3-oxazole-5-carboxylic acid
PubChem CID165486197
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name2-(propanoylamino)-1,3-oxazole-5-carboxylic acid
SMILESCCC(=O)Nc1ncc(C(=O)O)o1
InChIInChI=1S/C7H8N2O4/c1-2-5(10)9-7-8-3-4(13-7)6(11)12/h3H,2H2,1H3,(H,11,12)(H,8,9,10)
InChIKeyDNACABDTGQHQDK-UHFFFAOYSA-N
XLogP0.72
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 164603929
N-(5-acetyl-1,3-oxazol-2-yl)-3-methylpentanamide
CID 166418490
2-(dimethylamino)-N-(5-ethyl-1,3-oxazol-2-yl)acetamide
CID 89347935
N-(4,5-dimethyl-1,3-oxazol-2-yl)propanamide
CID 21323661
N-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide
CID 160672212
2-(dimethylamino)-N-(5-methyl-1,3-oxazol-2-yl)acetamide
CID 148676209
N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloroacetamide
CID 102543607
N-(2-methyl-1,3-thiazol-5-yl)propanamide
CID 131084438
2-(dichloromethyl)-1,3-oxazole-5-carboxylic acid
CID 127020814
CID 164907588
CID 164907588
2-(bromomethyl)-1,3-oxazole-5-carboxylic acid
CID 118453580
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43976455

Frequently Asked Questions

What is the IUPAC name of 2-(propanoylamino)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(propanoylamino)-1,3-oxazole-5-carboxylic acid (CID 165486197) is 2-(propanoylamino)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(propanoylamino)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(propanoylamino)-1,3-oxazole-5-carboxylic acid is CCC(=O)Nc1ncc(C(=O)O)o1.
What is the InChIKey of 2-(propanoylamino)-1,3-oxazole-5-carboxylic acid?
The InChIKey is DNACABDTGQHQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-2-5(10)9-7-8-3-4(13-7)6(11)12/h3H,2H2,1H3,(H,11,12)(H,8,9,10).
What are the key properties of 2-(propanoylamino)-1,3-oxazole-5-carboxylic acid?
2-(propanoylamino)-1,3-oxazole-5-carboxylic acid has a molecular weight of 184.15 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propanoylamino)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 165486197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).