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

C11H17NO — CID 142166033

IUPACethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazole
SMILESC=Cc1nc(C)oc1/C=C\C.CC
InChIInChI=1S/C9H11NO.C2H6/c1-4-6-9-8(5-2)10-7(3)11-9;1-2/h4-6H,2H2,1,3H3;1-2H3/b6-4-;
InChIKeySXPMZMTWQSDZKL-YHSAGPEESA-N
MW179.26 g/mol
LogP3.69
Rot. Bonds2

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

ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazole (PubChem CID 142166033) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazole.

Molecular Properties

Compound Nameethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazole
PubChem CID142166033
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Nameethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazole
SMILESC=Cc1nc(C)oc1/C=C\C.CC
InChIInChI=1S/C9H11NO.C2H6/c1-4-6-9-8(5-2)10-7(3)11-9;1-2/h4-6H,2H2,1,3H3;1-2H3/b6-4-;
InChIKeySXPMZMTWQSDZKL-YHSAGPEESA-N
XLogP3.69
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-ethenyl-2,5-dimethyl-1,3-oxazole
CID 143838762
4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-amine;fluoromethane
CID 145139768
ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1,3-oxazole
CID 172571272
ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole
CID 143277087
5-ethenyl-2-methyl-4-prop-1-en-2-yl-1,3-oxazole
CID 143414538
2-ethenyl-5-methyl-3,4-bis[(Z)-prop-1-enyl]furan
CID 142510186
ethane;5-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]triazine
CID 142959925
ethane;6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazine-2-thione
CID 145341104
2,5-dimethyl-4-[(Z)-3-methylidenepent-1-enyl]-1,3-oxazole
CID 143346683
(1E,4Z)-1-[4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]furan-2-yl]hexa-1,4-diene-2-thiol
CID 146671697
3,4-dimethyl-2-(2-methylprop-1-enyl)-5-[(Z)-prop-1-enyl]furan;ethane
CID 142939929
2,6-bis(ethenyl)-3,7-dimethyl-5-prop-1-enylimidazo[1,2-a]imidazole
CID 123943677

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazole?
The IUPAC name of ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazole (CID 142166033) is ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazole.
What is the SMILES notation for ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazole?
The canonical SMILES for ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazole is C=Cc1nc(C)oc1/C=C\C.CC.
What is the InChIKey of ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazole?
The InChIKey is SXPMZMTWQSDZKL-YHSAGPEESA-N. The full InChI is InChI=1S/C9H11NO.C2H6/c1-4-6-9-8(5-2)10-7(3)11-9;1-2/h4-6H,2H2,1,3H3;1-2H3/b6-4-;.
What are the key properties of ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazole?
ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazole has a molecular weight of 179.26 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazole is sourced from PubChem (CID 142166033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).