2-[2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methyl-1,3-oxazol-5-yl]ethanol

C13H19NO2 — CID 142209964

IUPAC2-[2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methyl-1,3-oxazol-5-yl]ethanol
SMILESC/C=C(\C=C/CC)c1nc(C)c(CCO)o1
InChIInChI=1S/C13H19NO2/c1-4-6-7-11(5-2)13-14-10(3)12(16-13)8-9-15/h5-7,15H,4,8-9H2,1-3H3/b7-6-,11-5+
InChIKeyHWYJTLGHEKRHGP-TUKAJDRUSA-N
MW221.30 g/mol
LogP2.89
Rot. Bonds5

About 2-[2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methyl-1,3-oxazol-5-yl]ethanol

2-[2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methyl-1,3-oxazol-5-yl]ethanol (PubChem CID 142209964) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methyl-1,3-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methyl-1,3-oxazol-5-yl]ethanol
PubChem CID142209964
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methyl-1,3-oxazol-5-yl]ethanol
SMILESC/C=C(\C=C/CC)c1nc(C)c(CCO)o1
InChIInChI=1S/C13H19NO2/c1-4-6-7-11(5-2)13-14-10(3)12(16-13)8-9-15/h5-7,15H,4,8-9H2,1-3H3/b7-6-,11-5+
InChIKeyHWYJTLGHEKRHGP-TUKAJDRUSA-N
XLogP2.89
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

ethyl 2-[2-[(2E,6Z)-4-fluoro-5-methylocta-2,6-dien-2-yl]-4-methyl-1,3-oxazol-5-yl]acetate
CID 142209999
2-[2-[(1E,3E)-3-fluoro-4-methylhexa-1,3,5-trienyl]-4-methyl-1,3-oxazol-5-yl]ethanol
CID 142210041
2-[2-[(2E,4Z)-7,7-difluorohepta-2,4-dien-3-yl]-5-methyl-1,3-oxazol-4-yl]propan-1-ol
CID 142952129
[5-Propan-2-yl-2-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazol-4-yl]methanol
CID 170147160
2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethanol
CID 22933314
2-(2-Tert-butyl-4-methyl-1,3-oxazol-5-yl)ethanol
CID 67089857
2-[5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazol-4-yl]ethanol
CID 69058947
2-[5-Methyl-2-(4-methylpent-1-enyl)-1,3-oxazol-4-yl]ethanol
CID 69058948
2-[5-Methyl-2-(1-penten-1-yl)oxazol-4-yl]ethanol
CID 69060333
2-Cyclohepta-1,6-dien-1-yl-4-ethyl-5-methyl-1,3-oxazole
CID 123824548
but-1-ene;ethyl 2-[4-methyl-2-[(E)-prop-1-enyl]-1,3-oxazol-5-yl]acetate;propane
CID 142209935
2-[2-[(E)-but-2-en-2-yl]-4-methyl-1,3-oxazol-5-yl]ethanol;ethane;prop-1-ene
CID 142209959

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methyl-1,3-oxazol-5-yl]ethanol?
The IUPAC name of 2-[2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methyl-1,3-oxazol-5-yl]ethanol (CID 142209964) is 2-[2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methyl-1,3-oxazol-5-yl]ethanol.
What is the SMILES notation for 2-[2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methyl-1,3-oxazol-5-yl]ethanol?
The canonical SMILES for 2-[2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methyl-1,3-oxazol-5-yl]ethanol is C/C=C(\C=C/CC)c1nc(C)c(CCO)o1.
What is the InChIKey of 2-[2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methyl-1,3-oxazol-5-yl]ethanol?
The InChIKey is HWYJTLGHEKRHGP-TUKAJDRUSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-6-7-11(5-2)13-14-10(3)12(16-13)8-9-15/h5-7,15H,4,8-9H2,1-3H3/b7-6-,11-5+.
What are the key properties of 2-[2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methyl-1,3-oxazol-5-yl]ethanol?
2-[2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methyl-1,3-oxazol-5-yl]ethanol has a molecular weight of 221.30 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methyl-1,3-oxazol-5-yl]ethanol is sourced from PubChem (CID 142209964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).