4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole;ethane

C11H19NO — CID 143380093

IUPAC4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole;ethane
SMILESC/C=C\C1=C(/C=C\C)OCN1.CC
InChIInChI=1S/C9H13NO.C2H6/c1-3-5-8-9(6-4-2)11-7-10-8;1-2/h3-6,10H,7H2,1-2H3;1-2H3/b5-3-,6-4-;
InChIKeyPPJLPHSPAQTLQB-VIOUERSGSA-N
MW181.28 g/mol
LogP2.95
Rot. Bonds2

About 4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole;ethane

4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole;ethane (PubChem CID 143380093) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole;ethane.

Molecular Properties

Compound Name4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole;ethane
PubChem CID143380093
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole;ethane
SMILESC/C=C\C1=C(/C=C\C)OCN1.CC
InChIInChI=1S/C9H13NO.C2H6/c1-3-5-8-9(6-4-2)11-7-10-8;1-2/h3-6,10H,7H2,1-2H3;1-2H3/b5-3-,6-4-;
InChIKeyPPJLPHSPAQTLQB-VIOUERSGSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole;ethane?
The IUPAC name of 4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole;ethane (CID 143380093) is 4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole;ethane.
What is the SMILES notation for 4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole;ethane?
The canonical SMILES for 4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole;ethane is C/C=C\C1=C(/C=C\C)OCN1.CC.
What is the InChIKey of 4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole;ethane?
The InChIKey is PPJLPHSPAQTLQB-VIOUERSGSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-3-5-8-9(6-4-2)11-7-10-8;1-2/h3-6,10H,7H2,1-2H3;1-2H3/b5-3-,6-4-;.
What are the key properties of 4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole;ethane?
4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole;ethane has a molecular weight of 181.28 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole;ethane is sourced from PubChem (CID 143380093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).