5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole

C9H13NO — CID 143707700

IUPAC5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole
SMILESC=CC1=C(/C=C\C)NC(C)O1
InChIInChI=1S/C9H13NO/c1-4-6-8-9(5-2)11-7(3)10-8/h4-7,10H,2H2,1,3H3/b6-4-
InChIKeyJWSUDKJMBXYEQM-XQRVVYSFSA-N
MW151.21 g/mol
LogP1.93
Rot. Bonds2

About 5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole

5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole (PubChem CID 143707700) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole
PubChem CID143707700
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole
SMILESC=CC1=C(/C=C\C)NC(C)O1
InChIInChI=1S/C9H13NO/c1-4-6-8-9(5-2)11-7(3)10-8/h4-7,10H,2H2,1,3H3/b6-4-
InChIKeyJWSUDKJMBXYEQM-XQRVVYSFSA-N
XLogP1.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole?
The IUPAC name of 5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole (CID 143707700) is 5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole.
What is the SMILES notation for 5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole?
The canonical SMILES for 5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole is C=CC1=C(/C=C\C)NC(C)O1.
What is the InChIKey of 5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole?
The InChIKey is JWSUDKJMBXYEQM-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-6-8-9(5-2)11-7(3)10-8/h4-7,10H,2H2,1,3H3/b6-4-.
What are the key properties of 5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole?
5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole has a molecular weight of 151.21 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazole is sourced from PubChem (CID 143707700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).