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

C6H7NO — CID 139837832

IUPAC3-prop-1-enyl-1,2-oxazole
SMILESCC=Cc1ccon1
InChIInChI=1S/C6H7NO/c1-2-3-6-4-5-8-7-6/h2-5H,1H3
InChIKeyLUNOIAGNVGZGNQ-UHFFFAOYSA-N
MW109.13 g/mol
LogP1.71
Rot. Bonds1

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

3-prop-1-enyl-1,2-oxazole (PubChem CID 139837832) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 3-prop-1-enyl-1,2-oxazole.

Molecular Properties

Compound Name3-prop-1-enyl-1,2-oxazole
PubChem CID139837832
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name3-prop-1-enyl-1,2-oxazole
SMILESCC=Cc1ccon1
InChIInChI=1S/C6H7NO/c1-2-3-6-4-5-8-7-6/h2-5H,1H3
InChIKeyLUNOIAGNVGZGNQ-UHFFFAOYSA-N
XLogP1.71
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylisoxazole
CID 96098
3-Ethyl-1,2-oxazole
CID 12529300
Fluoromethylisoxazole
CID 20077094
Difluoromethylisoxazole
CID 121273798
3-Ethenyl-1,2-oxazole
CID 11018809
3-[(3E)-5-fluorohexa-3,5-dien-3-yl]-1,2-oxazole
CID 166774866
(Z)-2-fluoro-3-(1,2-oxazol-3-yl)prop-2-enoic acid
CID 170439198
ethyl (Z)-2-fluoro-3-(1,2-oxazol-3-yl)prop-2-enoate
CID 170619161
3-[2-(Trifluoromethyl)hept-1-enyl]-1,2-oxazole
CID 175325188
3-(2,2-Dichloroethenyl)-1,2-oxazole
CID 14687246
Butynylisoxazole
CID 139214149
Isoxazolylvinyl ketone
CID 154926152

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-enyl-1,2-oxazole?
The IUPAC name of 3-prop-1-enyl-1,2-oxazole (CID 139837832) is 3-prop-1-enyl-1,2-oxazole.
What is the SMILES notation for 3-prop-1-enyl-1,2-oxazole?
The canonical SMILES for 3-prop-1-enyl-1,2-oxazole is CC=Cc1ccon1.
What is the InChIKey of 3-prop-1-enyl-1,2-oxazole?
The InChIKey is LUNOIAGNVGZGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-2-3-6-4-5-8-7-6/h2-5H,1H3.
What are the key properties of 3-prop-1-enyl-1,2-oxazole?
3-prop-1-enyl-1,2-oxazole has a molecular weight of 109.13 g/mol, XLogP of 1.71, 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-1,2-oxazole is sourced from PubChem (CID 139837832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).