(1Z,3E)-4-[4-(1-ethenoxyethenyl)-2-methyl-1,3-oxazol-5-yl]buta-1,3-dien-1-ol

C12H13NO3 — CID 142839556

IUPAC(1Z,3E)-4-[4-(1-ethenoxyethenyl)-2-methyl-1,3-oxazol-5-yl]buta-1,3-dien-1-ol
SMILESC=COC(=C)c1nc(C)oc1/C=C/C=C\O
InChIInChI=1S/C12H13NO3/c1-4-15-9(2)12-11(7-5-6-8-14)16-10(3)13-12/h4-8,14H,1-2H2,3H3/b7-5+,8-6-
InChIKeyCKISDWZZRFFAQW-YMBWGVAGSA-N
MW219.24 g/mol
LogP3.20
Rot. Bonds5

About (1Z,3E)-4-[4-(1-ethenoxyethenyl)-2-methyl-1,3-oxazol-5-yl]buta-1,3-dien-1-ol

(1Z,3E)-4-[4-(1-ethenoxyethenyl)-2-methyl-1,3-oxazol-5-yl]buta-1,3-dien-1-ol (PubChem CID 142839556) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is (1Z,3E)-4-[4-(1-ethenoxyethenyl)-2-methyl-1,3-oxazol-5-yl]buta-1,3-dien-1-ol.

Molecular Properties

Compound Name(1Z,3E)-4-[4-(1-ethenoxyethenyl)-2-methyl-1,3-oxazol-5-yl]buta-1,3-dien-1-ol
PubChem CID142839556
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name(1Z,3E)-4-[4-(1-ethenoxyethenyl)-2-methyl-1,3-oxazol-5-yl]buta-1,3-dien-1-ol
SMILESC=COC(=C)c1nc(C)oc1/C=C/C=C\O
InChIInChI=1S/C12H13NO3/c1-4-15-9(2)12-11(7-5-6-8-14)16-10(3)13-12/h4-8,14H,1-2H2,3H3/b7-5+,8-6-
InChIKeyCKISDWZZRFFAQW-YMBWGVAGSA-N
XLogP3.20
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1Z,3E)-4-[4-(1-ethenoxyethenyl)-2-methyl-1,3-oxazol-5-yl]buta-1,3-dien-1-ol with MolForge

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Related Compounds

(Z)-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]but-1-en-1-ol
CID 143671860
(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
3-(2,5-Dimethyl-1,3-oxazol-4-yl)prop-2-enoic acid
CID 66913348
4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-2-methyl-1,3-oxazole
CID 89277460
4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazole
CID 89345430
5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole
CID 90267712
2-methyl-6H-cyclohepta[d][1,3]oxazole
CID 91578935
5-But-1-enyl-4-ethenyl-2-methyl-1,3-oxazole
CID 123144798
5-Ethenyl-2-methyl-4-prop-1-enyl-1,3-oxazole
CID 123449815
2-Ethenyl-5-methyl-4-prop-1-enyl-1,3-oxazole
CID 123457402
2,4-Dimethyl-5-prop-1-enyl-1,3-oxazole
CID 123498226

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-4-[4-(1-ethenoxyethenyl)-2-methyl-1,3-oxazol-5-yl]buta-1,3-dien-1-ol?
The IUPAC name of (1Z,3E)-4-[4-(1-ethenoxyethenyl)-2-methyl-1,3-oxazol-5-yl]buta-1,3-dien-1-ol (CID 142839556) is (1Z,3E)-4-[4-(1-ethenoxyethenyl)-2-methyl-1,3-oxazol-5-yl]buta-1,3-dien-1-ol.
What is the SMILES notation for (1Z,3E)-4-[4-(1-ethenoxyethenyl)-2-methyl-1,3-oxazol-5-yl]buta-1,3-dien-1-ol?
The canonical SMILES for (1Z,3E)-4-[4-(1-ethenoxyethenyl)-2-methyl-1,3-oxazol-5-yl]buta-1,3-dien-1-ol is C=COC(=C)c1nc(C)oc1/C=C/C=C\O.
What is the InChIKey of (1Z,3E)-4-[4-(1-ethenoxyethenyl)-2-methyl-1,3-oxazol-5-yl]buta-1,3-dien-1-ol?
The InChIKey is CKISDWZZRFFAQW-YMBWGVAGSA-N. The full InChI is InChI=1S/C12H13NO3/c1-4-15-9(2)12-11(7-5-6-8-14)16-10(3)13-12/h4-8,14H,1-2H2,3H3/b7-5+,8-6-.
What are the key properties of (1Z,3E)-4-[4-(1-ethenoxyethenyl)-2-methyl-1,3-oxazol-5-yl]buta-1,3-dien-1-ol?
(1Z,3E)-4-[4-(1-ethenoxyethenyl)-2-methyl-1,3-oxazol-5-yl]buta-1,3-dien-1-ol has a molecular weight of 219.24 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-4-[4-(1-ethenoxyethenyl)-2-methyl-1,3-oxazol-5-yl]buta-1,3-dien-1-ol is sourced from PubChem (CID 142839556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).