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

C6H7NO — CID 14362063

IUPAC5-prop-1-en-2-yl-1,3-oxazole
SMILESC=C(C)c1cnco1
InChIInChI=1S/C6H7NO/c1-5(2)6-3-7-4-8-6/h3-4H,1H2,2H3
InChIKeySOVGKXUHOIHLLX-UHFFFAOYSA-N
MW109.13 g/mol
LogP1.71
Rot. Bonds1

About 5-prop-1-en-2-yl-1,3-oxazole

5-prop-1-en-2-yl-1,3-oxazole (PubChem CID 14362063) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 5-prop-1-en-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-prop-1-en-2-yl-1,3-oxazole
PubChem CID14362063
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name5-prop-1-en-2-yl-1,3-oxazole
SMILESC=C(C)c1cnco1
InChIInChI=1S/C6H7NO/c1-5(2)6-3-7-4-8-6/h3-4H,1H2,2H3
InChIKeySOVGKXUHOIHLLX-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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Frequently Asked Questions

What is the IUPAC name of 5-prop-1-en-2-yl-1,3-oxazole?
The IUPAC name of 5-prop-1-en-2-yl-1,3-oxazole (CID 14362063) is 5-prop-1-en-2-yl-1,3-oxazole.
What is the SMILES notation for 5-prop-1-en-2-yl-1,3-oxazole?
The canonical SMILES for 5-prop-1-en-2-yl-1,3-oxazole is C=C(C)c1cnco1.
What is the InChIKey of 5-prop-1-en-2-yl-1,3-oxazole?
The InChIKey is SOVGKXUHOIHLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-5(2)6-3-7-4-8-6/h3-4H,1H2,2H3.
What are the key properties of 5-prop-1-en-2-yl-1,3-oxazole?
5-prop-1-en-2-yl-1,3-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 5-prop-1-en-2-yl-1,3-oxazole is sourced from PubChem (CID 14362063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).