3-prop-1-en-2-yl-1,2-oxazole

C6H7NO — CID 118084719

IUPAC3-prop-1-en-2-yl-1,2-oxazole
SMILESC=C(C)c1ccon1
InChIInChI=1S/C6H7NO/c1-5(2)6-3-4-8-7-6/h3-4H,1H2,2H3
InChIKeyCXTPSVQSBBOEMG-UHFFFAOYSA-N
MW109.13 g/mol
LogP1.71
Rot. Bonds1

About 3-prop-1-en-2-yl-1,2-oxazole

3-prop-1-en-2-yl-1,2-oxazole (PubChem CID 118084719) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 3-prop-1-en-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-prop-1-en-2-yl-1,2-oxazole
PubChem CID118084719
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name3-prop-1-en-2-yl-1,2-oxazole
SMILESC=C(C)c1ccon1
InChIInChI=1S/C6H7NO/c1-5(2)6-3-4-8-7-6/h3-4H,1H2,2H3
InChIKeyCXTPSVQSBBOEMG-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

2-(1,2-Oxazol-3-yl)acetonitrile
CID 14765771
1-(1,2-Oxazol-3-yl)ethan-1-one
CID 21349800
3-Ethyl-1,2-oxazole
CID 12529300
2-Isoxazol-3-ylethanol
CID 17997979
3-(1-Chloroethyl)isoxazole
CID 20284567
3-(2-Bromoethyl)-1,2-oxazole
CID 140225074
3-Ethenyl-1,2-oxazole
CID 11018809
Propylisoxazole
CID 12428067
3-(1,1-Dimethylethyl)isoxazole
CID 13740233
3-Cyclopropylisoxazole
CID 18522786
Isobutylisoxazole
CID 21085832
Butylisoxazol
CID 21279276

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-yl-1,2-oxazole?
The IUPAC name of 3-prop-1-en-2-yl-1,2-oxazole (CID 118084719) is 3-prop-1-en-2-yl-1,2-oxazole.
What is the SMILES notation for 3-prop-1-en-2-yl-1,2-oxazole?
The canonical SMILES for 3-prop-1-en-2-yl-1,2-oxazole is C=C(C)c1ccon1.
What is the InChIKey of 3-prop-1-en-2-yl-1,2-oxazole?
The InChIKey is CXTPSVQSBBOEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-5(2)6-3-4-8-7-6/h3-4H,1H2,2H3.
What are the key properties of 3-prop-1-en-2-yl-1,2-oxazole?
3-prop-1-en-2-yl-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-en-2-yl-1,2-oxazole is sourced from PubChem (CID 118084719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).