5-ethenyl-3-ethyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-2-one

C10H13NO2 — CID 142026365

IUPAC5-ethenyl-3-ethyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-2-one
SMILESC=Cc1oc(=O)n(CC)c1/C=C\C
InChIInChI=1S/C10H13NO2/c1-4-7-8-9(5-2)13-10(12)11(8)6-3/h4-5,7H,2,6H2,1,3H3/b7-4-
InChIKeyBSFDEBBMWOFHTB-DAXSKMNVSA-N
MW179.22 g/mol
LogP2.14
Rot. Bonds3

About 5-ethenyl-3-ethyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-2-one

5-ethenyl-3-ethyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-2-one (PubChem CID 142026365) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-ethenyl-3-ethyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-ethenyl-3-ethyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-2-one
PubChem CID142026365
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name5-ethenyl-3-ethyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-2-one
SMILESC=Cc1oc(=O)n(CC)c1/C=C\C
InChIInChI=1S/C10H13NO2/c1-4-7-8-9(5-2)13-10(12)11(8)6-3/h4-5,7H,2,6H2,1,3H3/b7-4-
InChIKeyBSFDEBBMWOFHTB-DAXSKMNVSA-N
XLogP2.14
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

lithium phenyl N,N-diethylcarbamate
CID 25258917
[(3Z)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate
CID 15727158
[(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate
CID 15727159
3-ethyl-5-methyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-oxazol-2-one
CID 88266419
CID 89378008
CID 89378008
3,4-dimethyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-one
CID 132063615
4-ethenyl-5-[(Z)-prop-1-enyl]-2H-1,3-oxazole-3-carbaldehyde
CID 141808690
2-[4-ethenyl-2-oxo-5-[(Z)-prop-1-enyl]-1,3-oxazol-3-yl]acetaldehyde
CID 142942771
4,5-Bis(ethenyl)-3-methyl-1,3-oxazol-2-one;ethane
CID 143201376
4,5-Bis(ethenyl)-3-methyl-1,3-oxazol-2-one
CID 143201377
3-Methylcyclohepta[d][1,3]oxazol-2-one
CID 143468987
3-ethyl-6-methyl-6H-cyclohepta[d][1,3]oxazol-2-one
CID 145369363

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-ethyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-2-one?
The IUPAC name of 5-ethenyl-3-ethyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-2-one (CID 142026365) is 5-ethenyl-3-ethyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-2-one.
What is the SMILES notation for 5-ethenyl-3-ethyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-2-one?
The canonical SMILES for 5-ethenyl-3-ethyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-2-one is C=Cc1oc(=O)n(CC)c1/C=C\C.
What is the InChIKey of 5-ethenyl-3-ethyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-2-one?
The InChIKey is BSFDEBBMWOFHTB-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H13NO2/c1-4-7-8-9(5-2)13-10(12)11(8)6-3/h4-5,7H,2,6H2,1,3H3/b7-4-.
What are the key properties of 5-ethenyl-3-ethyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-2-one?
5-ethenyl-3-ethyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-2-one has a molecular weight of 179.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-ethyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-2-one is sourced from PubChem (CID 142026365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).