5-[(Z)-2-ethylpent-1-enyl]-2,4-dimethyl-1,3-oxazole

C12H19NO — CID 70309865

IUPAC5-[(Z)-2-ethylpent-1-enyl]-2,4-dimethyl-1,3-oxazole
SMILESCCC/C(=C\c1oc(C)nc1C)CC
InChIInChI=1S/C12H19NO/c1-5-7-11(6-2)8-12-9(3)13-10(4)14-12/h8H,5-7H2,1-4H3/b11-8-
InChIKeyUNMBIRLGNBDQBP-FLIBITNWSA-N
MW193.29 g/mol
LogP3.88
Rot. Bonds4

About 5-[(Z)-2-ethylpent-1-enyl]-2,4-dimethyl-1,3-oxazole

5-[(Z)-2-ethylpent-1-enyl]-2,4-dimethyl-1,3-oxazole (PubChem CID 70309865) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-[(Z)-2-ethylpent-1-enyl]-2,4-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name5-[(Z)-2-ethylpent-1-enyl]-2,4-dimethyl-1,3-oxazole
PubChem CID70309865
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5-[(Z)-2-ethylpent-1-enyl]-2,4-dimethyl-1,3-oxazole
SMILESCCC/C(=C\c1oc(C)nc1C)CC
InChIInChI=1S/C12H19NO/c1-5-7-11(6-2)8-12-9(3)13-10(4)14-12/h8H,5-7H2,1-4H3/b11-8-
InChIKeyUNMBIRLGNBDQBP-FLIBITNWSA-N
XLogP3.88
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-ethylpent-1-enyl]-2,4-dimethyl-1,3-oxazole?
The IUPAC name of 5-[(Z)-2-ethylpent-1-enyl]-2,4-dimethyl-1,3-oxazole (CID 70309865) is 5-[(Z)-2-ethylpent-1-enyl]-2,4-dimethyl-1,3-oxazole.
What is the SMILES notation for 5-[(Z)-2-ethylpent-1-enyl]-2,4-dimethyl-1,3-oxazole?
The canonical SMILES for 5-[(Z)-2-ethylpent-1-enyl]-2,4-dimethyl-1,3-oxazole is CCC/C(=C\c1oc(C)nc1C)CC.
What is the InChIKey of 5-[(Z)-2-ethylpent-1-enyl]-2,4-dimethyl-1,3-oxazole?
The InChIKey is UNMBIRLGNBDQBP-FLIBITNWSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-7-11(6-2)8-12-9(3)13-10(4)14-12/h8H,5-7H2,1-4H3/b11-8-.
What are the key properties of 5-[(Z)-2-ethylpent-1-enyl]-2,4-dimethyl-1,3-oxazole?
5-[(Z)-2-ethylpent-1-enyl]-2,4-dimethyl-1,3-oxazole has a molecular weight of 193.29 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-ethylpent-1-enyl]-2,4-dimethyl-1,3-oxazole is sourced from PubChem (CID 70309865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).