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

C9H11NO — CID 123457402

IUPAC2-ethenyl-5-methyl-4-prop-1-enyl-1,3-oxazole
SMILESC=Cc1nc(C=CC)c(C)o1
InChIInChI=1S/C9H11NO/c1-4-6-8-7(3)11-9(5-2)10-8/h4-6H,2H2,1,3H3
InChIKeyDZXFDCKVACISQD-UHFFFAOYSA-N
MW149.19 g/mol
LogP2.66
Rot. Bonds2

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

2-ethenyl-5-methyl-4-prop-1-enyl-1,3-oxazole (PubChem CID 123457402) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-ethenyl-5-methyl-4-prop-1-enyl-1,3-oxazole.

Molecular Properties

Compound Name2-ethenyl-5-methyl-4-prop-1-enyl-1,3-oxazole
PubChem CID123457402
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-ethenyl-5-methyl-4-prop-1-enyl-1,3-oxazole
SMILESC=Cc1nc(C=CC)c(C)o1
InChIInChI=1S/C9H11NO/c1-4-6-8-7(3)11-9(5-2)10-8/h4-6H,2H2,1,3H3
InChIKeyDZXFDCKVACISQD-UHFFFAOYSA-N
XLogP2.66
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.66
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
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
(E)-3-(2,5-dimethyl-1,3-oxazol-4-yl)prop-2-enoic acid
CID 57486041
4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazole
CID 15176124
2-(5H-1,3-benzoxazol-5-id-2-yl)ethynyl-tri(propan-2-yl)silane;yttrium
CID 135017247
4,5-bis(ethenyl)-2-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]-1,3-oxazole
CID 142810880
4,5-dimethyl-2-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-1,3-oxazole
CID 149289412

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-methyl-4-prop-1-enyl-1,3-oxazole?
The IUPAC name of 2-ethenyl-5-methyl-4-prop-1-enyl-1,3-oxazole (CID 123457402) is 2-ethenyl-5-methyl-4-prop-1-enyl-1,3-oxazole.
What is the SMILES notation for 2-ethenyl-5-methyl-4-prop-1-enyl-1,3-oxazole?
The canonical SMILES for 2-ethenyl-5-methyl-4-prop-1-enyl-1,3-oxazole is C=Cc1nc(C=CC)c(C)o1.
What is the InChIKey of 2-ethenyl-5-methyl-4-prop-1-enyl-1,3-oxazole?
The InChIKey is DZXFDCKVACISQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-4-6-8-7(3)11-9(5-2)10-8/h4-6H,2H2,1,3H3.
What are the key properties of 2-ethenyl-5-methyl-4-prop-1-enyl-1,3-oxazole?
2-ethenyl-5-methyl-4-prop-1-enyl-1,3-oxazole has a molecular weight of 149.19 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-methyl-4-prop-1-enyl-1,3-oxazole is sourced from PubChem (CID 123457402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).