3-prop-1-enyl-2H-1,3-oxazole

C6H9NO — CID 54485312

IUPAC3-prop-1-enyl-2H-1,3-oxazole
SMILESCC=CN1C=COC1
InChIInChI=1S/C6H9NO/c1-2-3-7-4-5-8-6-7/h2-5H,6H2,1H3
InChIKeyFDCRMZOUQDPMGS-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.28
Rot. Bonds1

About 3-prop-1-enyl-2H-1,3-oxazole

3-prop-1-enyl-2H-1,3-oxazole (PubChem CID 54485312) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 3-prop-1-enyl-2H-1,3-oxazole.

Molecular Properties

Compound Name3-prop-1-enyl-2H-1,3-oxazole
PubChem CID54485312
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name3-prop-1-enyl-2H-1,3-oxazole
SMILESCC=CN1C=COC1
InChIInChI=1S/C6H9NO/c1-2-3-7-4-5-8-6-7/h2-5H,6H2,1H3
InChIKeyFDCRMZOUQDPMGS-UHFFFAOYSA-N
XLogP1.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl oxazoline
CID 19079310
N-ethyl oxazole
CID 23317920
3,3-dimethyl-2H-1,3-oxazol-3-ium
CID 18431014
1-(Methoxymethyl)-1-methylpyrrol-1-ium
CID 20144564
3-propan-2-yl-2H-1,3-oxazole
CID 22091757
1-(ethoxymethyl)-2H-azete
CID 23545571
2,2,3-Trimethyl-1,3-oxazole
CID 53886740
2-Methoxy-1-methyl-2,3-dihydropyrrole
CID 53915069
3-but-2-enyl-2H-1,3-oxazole
CID 53944196
3,3-diethyl-2H-1,3-oxazol-3-ium
CID 54203737
2,3-dimethyl-2H-1,3-oxazole
CID 54347933
3-(2-methylprop-2-enyl)-2H-1,3-oxazole
CID 54469137

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-enyl-2H-1,3-oxazole?
The IUPAC name of 3-prop-1-enyl-2H-1,3-oxazole (CID 54485312) is 3-prop-1-enyl-2H-1,3-oxazole.
What is the SMILES notation for 3-prop-1-enyl-2H-1,3-oxazole?
The canonical SMILES for 3-prop-1-enyl-2H-1,3-oxazole is CC=CN1C=COC1.
What is the InChIKey of 3-prop-1-enyl-2H-1,3-oxazole?
The InChIKey is FDCRMZOUQDPMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-3-7-4-5-8-6-7/h2-5H,6H2,1H3.
What are the key properties of 3-prop-1-enyl-2H-1,3-oxazole?
3-prop-1-enyl-2H-1,3-oxazole has a molecular weight of 111.14 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-enyl-2H-1,3-oxazole is sourced from PubChem (CID 54485312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).