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

C8H11NO — CID 57011498

IUPAC2-pent-2-en-2-yl-1,3-oxazole
SMILESCCC=C(C)c1ncco1
InChIInChI=1S/C8H11NO/c1-3-4-7(2)8-9-5-6-10-8/h4-6H,3H2,1-2H3
InChIKeyCEIJJIPBGXRZGW-UHFFFAOYSA-N
MW137.18 g/mol
LogP2.49
Rot. Bonds2

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

2-pent-2-en-2-yl-1,3-oxazole (PubChem CID 57011498) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-pent-2-en-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-pent-2-en-2-yl-1,3-oxazole
PubChem CID57011498
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-pent-2-en-2-yl-1,3-oxazole
SMILESCCC=C(C)c1ncco1
InChIInChI=1S/C8H11NO/c1-3-4-7(2)8-9-5-6-10-8/h4-6H,3H2,1-2H3
InChIKeyCEIJJIPBGXRZGW-UHFFFAOYSA-N
XLogP2.49
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pent-2-en-2-yl-1,3-oxazole?
The IUPAC name of 2-pent-2-en-2-yl-1,3-oxazole (CID 57011498) is 2-pent-2-en-2-yl-1,3-oxazole.
What is the SMILES notation for 2-pent-2-en-2-yl-1,3-oxazole?
The canonical SMILES for 2-pent-2-en-2-yl-1,3-oxazole is CCC=C(C)c1ncco1.
What is the InChIKey of 2-pent-2-en-2-yl-1,3-oxazole?
The InChIKey is CEIJJIPBGXRZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-4-7(2)8-9-5-6-10-8/h4-6H,3H2,1-2H3.
What are the key properties of 2-pent-2-en-2-yl-1,3-oxazole?
2-pent-2-en-2-yl-1,3-oxazole has a molecular weight of 137.18 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-2-en-2-yl-1,3-oxazole is sourced from PubChem (CID 57011498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).