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

C16H31NO — CID 143984565

IUPAC4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane
SMILESC=Cc1oc(C)nc1/C(C)=C\C.CC.CC.CC
InChIInChI=1S/C10H13NO.3C2H6/c1-5-7(3)10-9(6-2)12-8(4)11-10;3*1-2/h5-6H,2H2,1,3-4H3;3*1-2H3/b7-5-;;;
InChIKeyOJEJUAAWIIDYRY-PQIWAGTOSA-N
MW253.43 g/mol
LogP6.13
Rot. Bonds2

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

4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane (PubChem CID 143984565) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane.

Molecular Properties

Compound Name4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane
PubChem CID143984565
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane
SMILESC=Cc1oc(C)nc1/C(C)=C\C.CC.CC.CC
InChIInChI=1S/C10H13NO.3C2H6/c1-5-7(3)10-9(6-2)12-8(4)11-10;3*1-2/h5-6H,2H2,1,3-4H3;3*1-2H3/b7-5-;;;
InChIKeyOJEJUAAWIIDYRY-PQIWAGTOSA-N
XLogP6.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.43
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
2,5,6-Trimethyl-4,7-dimethylidene-1,3-benzoxazole
CID 58975922

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane?
The IUPAC name of 4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane (CID 143984565) is 4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane.
What is the SMILES notation for 4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane?
The canonical SMILES for 4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane is C=Cc1oc(C)nc1/C(C)=C\C.CC.CC.CC.
What is the InChIKey of 4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane?
The InChIKey is OJEJUAAWIIDYRY-PQIWAGTOSA-N. The full InChI is InChI=1S/C10H13NO.3C2H6/c1-5-7(3)10-9(6-2)12-8(4)11-10;3*1-2/h5-6H,2H2,1,3-4H3;3*1-2H3/b7-5-;;;.
What are the key properties of 4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane?
4-[(Z)-but-2-en-2-yl]-5-ethenyl-2-methyl-1,3-oxazole;ethane has a molecular weight of 253.43 g/mol, XLogP of 6.13, 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 is sourced from PubChem (CID 143984565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).