1,2-oxazole-3-carboxylic acid;prop-1-ene

C7H9NO3 — CID 161083029

IUPAC1,2-oxazole-3-carboxylic acid;prop-1-ene
SMILESC=CC.O=C(O)c1ccon1
InChIInChI=1S/C4H3NO3.C3H6/c6-4(7)3-1-2-8-5-3;1-3-2/h1-2H,(H,6,7);3H,1H2,2H3
InChIKeyUGDPSPKRXXDOJW-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.57
Rot. Bonds1

About 1,2-oxazole-3-carboxylic acid;prop-1-ene

1,2-oxazole-3-carboxylic acid;prop-1-ene (PubChem CID 161083029) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 1,2-oxazole-3-carboxylic acid;prop-1-ene.

Molecular Properties

Compound Name1,2-oxazole-3-carboxylic acid;prop-1-ene
PubChem CID161083029
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name1,2-oxazole-3-carboxylic acid;prop-1-ene
SMILESC=CC.O=C(O)c1ccon1
InChIInChI=1S/C4H3NO3.C3H6/c6-4(7)3-1-2-8-5-3;1-3-2/h1-2H,(H,6,7);3H,1H2,2H3
InChIKeyUGDPSPKRXXDOJW-UHFFFAOYSA-N
XLogP1.57
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-imidazole;1,2-oxazole-3-carboxylic acid
CID 175292964
ethane;3-[(Z)-1-ethenoxyprop-1-enyl]-1,2-oxazole
CID 143157807
methyl (E)-2-(1,2-oxazol-3-yl)but-2-enoate
CID 67912409
2-methyl-1-(1,2-oxazol-3-yl)propan-1-one
CID 134296437
benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone
CID 167484647
3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid;1,2-oxazole-3-carboxylic acid
CID 159564630
bis(prop-1-ene);terephthalic acid
CID 159254525
N-methyl-N-phenyl-1,2-oxazole-3-carboxamide
CID 91235694
3-(1-phenylprop-1-en-2-yl)-1,2-oxazole
CID 70700456
ethene;prop-1-ene;terephthalic acid
CID 70629697
[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 72908400
N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 130679942

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole-3-carboxylic acid;prop-1-ene?
The IUPAC name of 1,2-oxazole-3-carboxylic acid;prop-1-ene (CID 161083029) is 1,2-oxazole-3-carboxylic acid;prop-1-ene.
What is the SMILES notation for 1,2-oxazole-3-carboxylic acid;prop-1-ene?
The canonical SMILES for 1,2-oxazole-3-carboxylic acid;prop-1-ene is C=CC.O=C(O)c1ccon1.
What is the InChIKey of 1,2-oxazole-3-carboxylic acid;prop-1-ene?
The InChIKey is UGDPSPKRXXDOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO3.C3H6/c6-4(7)3-1-2-8-5-3;1-3-2/h1-2H,(H,6,7);3H,1H2,2H3.
What are the key properties of 1,2-oxazole-3-carboxylic acid;prop-1-ene?
1,2-oxazole-3-carboxylic acid;prop-1-ene has a molecular weight of 155.15 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole-3-carboxylic acid;prop-1-ene is sourced from PubChem (CID 161083029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).