5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-oxazole

C11H15NO — CID 177189333

IUPAC5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-oxazole
SMILESC=C/C(=C\c1ncoc1C)C(C)C
InChIInChI=1S/C11H15NO/c1-5-10(8(2)3)6-11-9(4)13-7-12-11/h5-8H,1H2,2-4H3/b10-6+
InChIKeyLPTVRPVKWKDJGK-UXBLZVDNSA-N
MW177.25 g/mol
LogP3.21
Rot. Bonds3

About 5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-oxazole

5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-oxazole (PubChem CID 177189333) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-oxazole
PubChem CID177189333
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-oxazole
SMILESC=C/C(=C\c1ncoc1C)C(C)C
InChIInChI=1S/C11H15NO/c1-5-10(8(2)3)6-11-9(4)13-7-12-11/h5-8H,1H2,2-4H3/b10-6+
InChIKeyLPTVRPVKWKDJGK-UXBLZVDNSA-N
XLogP3.21
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-oxazole?
The IUPAC name of 5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-oxazole (CID 177189333) is 5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-oxazole is C=C/C(=C\c1ncoc1C)C(C)C.
What is the InChIKey of 5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-oxazole?
The InChIKey is LPTVRPVKWKDJGK-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H15NO/c1-5-10(8(2)3)6-11-9(4)13-7-12-11/h5-8H,1H2,2-4H3/b10-6+.
What are the key properties of 5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-oxazole?
5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-oxazole has a molecular weight of 177.25 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-oxazole is sourced from PubChem (CID 177189333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).