5-but-1-enyl-4-ethenyl-2-methyl-1,3-oxazole

C10H13NO — CID 123144798

IUPAC5-but-1-enyl-4-ethenyl-2-methyl-1,3-oxazole
SMILESC=Cc1nc(C)oc1C=CCC
InChIInChI=1S/C10H13NO/c1-4-6-7-10-9(5-2)11-8(3)12-10/h5-7H,2,4H2,1,3H3
InChIKeyDUNXZNLLDKQOQW-UHFFFAOYSA-N
MW163.22 g/mol
LogP3.05
Rot. Bonds3

About 5-but-1-enyl-4-ethenyl-2-methyl-1,3-oxazole

5-but-1-enyl-4-ethenyl-2-methyl-1,3-oxazole (PubChem CID 123144798) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-but-1-enyl-4-ethenyl-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-but-1-enyl-4-ethenyl-2-methyl-1,3-oxazole
PubChem CID123144798
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5-but-1-enyl-4-ethenyl-2-methyl-1,3-oxazole
SMILESC=Cc1nc(C)oc1C=CCC
InChIInChI=1S/C10H13NO/c1-4-6-7-10-9(5-2)11-8(3)12-10/h5-7H,2,4H2,1,3H3
InChIKeyDUNXZNLLDKQOQW-UHFFFAOYSA-N
XLogP3.05
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ethenyl-2,5-dimethyl-1,3-oxazole
CID 15176132
5-(5-Fluoro-6-methylhepta-2,4,6-trien-3-yl)-2,4-dimethyl-1,3-oxazole
CID 91492923
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
5-(bromomethyl)-4-methyl-2-[(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-yl]-1,3-oxazole
CID 143640541
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
6-methyl-6-propan-2-yl-2-[(2Z,4E,6Z)-10,10,10-trifluorodeca-2,4,6-trien-5-yl]cyclohepta[d][1,3]oxazole
CID 166687913
5-Ethenyl-4-(fluoromethyl)-2-methyl-1,3-oxazole
CID 166923913
5-ethenyl-2-propan-2-yl-4-[(1Z,3E)-5,5,5-trifluoropenta-1,3-dienyl]-1,3-oxazole
CID 167089457
(2E,4E)-4-[5-methyl-4-[(1E)-2-(trifluoromethyl)penta-1,3-dienyl]-1,3-oxazol-2-yl]hepta-2,4,6-trien-3-ol
CID 173472453
(E)-3-(2,5-dimethyl-1,3-oxazol-4-yl)prop-2-enoic acid
CID 57486041

Frequently Asked Questions

What is the IUPAC name of 5-but-1-enyl-4-ethenyl-2-methyl-1,3-oxazole?
The IUPAC name of 5-but-1-enyl-4-ethenyl-2-methyl-1,3-oxazole (CID 123144798) is 5-but-1-enyl-4-ethenyl-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-but-1-enyl-4-ethenyl-2-methyl-1,3-oxazole?
The canonical SMILES for 5-but-1-enyl-4-ethenyl-2-methyl-1,3-oxazole is C=Cc1nc(C)oc1C=CCC.
What is the InChIKey of 5-but-1-enyl-4-ethenyl-2-methyl-1,3-oxazole?
The InChIKey is DUNXZNLLDKQOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-6-7-10-9(5-2)11-8(3)12-10/h5-7H,2,4H2,1,3H3.
What are the key properties of 5-but-1-enyl-4-ethenyl-2-methyl-1,3-oxazole?
5-but-1-enyl-4-ethenyl-2-methyl-1,3-oxazole has a molecular weight of 163.22 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-1-enyl-4-ethenyl-2-methyl-1,3-oxazole is sourced from PubChem (CID 123144798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).