4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane;methane

C13H23NO — CID 143984518

IUPAC4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane;methane
SMILESC.C=Cc1oc(C)nc1/C(C)=C\C.CC
InChIInChI=1S/C10H13NO.C2H6.CH4/c1-5-7(3)10-9(6-2)12-8(4)11-10;1-2;/h5-6H,2H2,1,3-4H3;1-2H3;1H4/b7-5-;;
InChIKeyFWIGHMULOZSHBB-MWKZNRQPSA-N
MW209.33 g/mol
LogP4.71
Rot. Bonds2

About 4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane;methane

4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane;methane (PubChem CID 143984518) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane;methane.

Molecular Properties

Compound Name4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane;methane
PubChem CID143984518
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane;methane
SMILESC.C=Cc1oc(C)nc1/C(C)=C\C.CC
InChIInChI=1S/C10H13NO.C2H6.CH4/c1-5-7(3)10-9(6-2)12-8(4)11-10;1-2;/h5-6H,2H2,1,3-4H3;1-2H3;1H4/b7-5-;;
InChIKeyFWIGHMULOZSHBB-MWKZNRQPSA-N
XLogP4.71
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dimethyl-4-prop-2-enyl-1,3-oxazole
CID 15176130
5-(5-Fluoro-6-methylhepta-2,4,6-trien-3-yl)-2,4-dimethyl-1,3-oxazole
CID 91492923
4-[3-(Difluoromethyl)-2,3-dihydroquinolin-7-yl]-5-methyl-2-(5-methylhepta-3,5-dien-2-yl)-1,3-oxazole
CID 123367918
5-[(Z)-3-fluoroprop-1-enyl]-2,4-dimethyl-1,3-oxazole
CID 141904051
4-Ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole
CID 142936356
2,5-bis(ethenyl)-4-[(Z)-4-(2-fluoroethoxy)but-2-enyl]-1,3-oxazole
CID 143707719
2-(4-fluorocyclohepta-1,3,6-trien-1-yl)-5-methyl-4-[(2E)-penta-2,4-dien-2-yl]-1,3-oxazole
CID 144879705
5-ethenyl-2-propan-2-yl-4-[(1Z,3E)-5,5,5-trifluoropenta-1,3-dienyl]-1,3-oxazole
CID 167089457
4,5-bis(ethenyl)-2-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]-1,3-oxazole
CID 142810880
4-Ethyl-2-(4-fluorocyclohepta-1,3-dien-1-yl)-5-methyl-1,3-oxazole
CID 142936155
4-ethyl-2-[(1Z,3E)-1-(1-fluorocyclopropyl)penta-1,3-dien-3-yl]-5-methyl-1,3-oxazole
CID 142936506
2-Methyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 148800021

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane;methane?
The IUPAC name of 4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane;methane (CID 143984518) is 4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane;methane.
What is the SMILES notation for 4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane;methane?
The canonical SMILES for 4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane;methane is C.C=Cc1oc(C)nc1/C(C)=C\C.CC.
What is the InChIKey of 4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane;methane?
The InChIKey is FWIGHMULOZSHBB-MWKZNRQPSA-N. The full InChI is InChI=1S/C10H13NO.C2H6.CH4/c1-5-7(3)10-9(6-2)12-8(4)11-10;1-2;/h5-6H,2H2,1,3-4H3;1-2H3;1H4/b7-5-;;.
What are the key properties of 4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane;methane?
4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane;methane has a molecular weight of 209.33 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane;methane is sourced from PubChem (CID 143984518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).