4-ethenyl-5-pent-2-en-3-yl-2-propan-2-yl-1,3-oxazole

C13H19NO — CID 91529250

IUPAC4-ethenyl-5-pent-2-en-3-yl-2-propan-2-yl-1,3-oxazole
SMILESC=Cc1nc(C(C)C)oc1C(=CC)CC
InChIInChI=1S/C13H19NO/c1-6-10(7-2)12-11(8-3)14-13(15-12)9(4)5/h6,8-9H,3,7H2,1-2,4-5H3
InChIKeyDLIVXIDVHGXVQN-UHFFFAOYSA-N
MW205.30 g/mol
LogP4.25
Rot. Bonds4

About 4-ethenyl-5-pent-2-en-3-yl-2-propan-2-yl-1,3-oxazole

4-ethenyl-5-pent-2-en-3-yl-2-propan-2-yl-1,3-oxazole (PubChem CID 91529250) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-ethenyl-5-pent-2-en-3-yl-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-ethenyl-5-pent-2-en-3-yl-2-propan-2-yl-1,3-oxazole
PubChem CID91529250
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-ethenyl-5-pent-2-en-3-yl-2-propan-2-yl-1,3-oxazole
SMILESC=Cc1nc(C(C)C)oc1C(=CC)CC
InChIInChI=1S/C13H19NO/c1-6-10(7-2)12-11(8-3)14-13(15-12)9(4)5/h6,8-9H,3,7H2,1-2,4-5H3
InChIKeyDLIVXIDVHGXVQN-UHFFFAOYSA-N
XLogP4.25
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-pent-2-en-3-yl-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-ethenyl-5-pent-2-en-3-yl-2-propan-2-yl-1,3-oxazole (CID 91529250) is 4-ethenyl-5-pent-2-en-3-yl-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-ethenyl-5-pent-2-en-3-yl-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-ethenyl-5-pent-2-en-3-yl-2-propan-2-yl-1,3-oxazole is C=Cc1nc(C(C)C)oc1C(=CC)CC.
What is the InChIKey of 4-ethenyl-5-pent-2-en-3-yl-2-propan-2-yl-1,3-oxazole?
The InChIKey is DLIVXIDVHGXVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-6-10(7-2)12-11(8-3)14-13(15-12)9(4)5/h6,8-9H,3,7H2,1-2,4-5H3.
What are the key properties of 4-ethenyl-5-pent-2-en-3-yl-2-propan-2-yl-1,3-oxazole?
4-ethenyl-5-pent-2-en-3-yl-2-propan-2-yl-1,3-oxazole has a molecular weight of 205.30 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-pent-2-en-3-yl-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 91529250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).