[2-[(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]-5-methyl-1,3-oxazol-4-yl]methanol

C16H17NO2 — CID 142936316

IUPAC[2-[(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]-5-methyl-1,3-oxazol-4-yl]methanol
SMILESC=C/C=c1/cc(-c2nc(CO)c(C)o2)cc/c1=C/C
InChIInChI=1S/C16H17NO2/c1-4-6-13-9-14(8-7-12(13)5-2)16-17-15(10-18)11(3)19-16/h4-9,18H,1,10H2,2-3H3/b12-5-,13-6-
InChIKeyFEKWAMSECOUEIC-VFWKFLPVSA-N
MW255.32 g/mol
LogP1.91
Rot. Bonds3

About [2-[(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]-5-methyl-1,3-oxazol-4-yl]methanol

[2-[(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]-5-methyl-1,3-oxazol-4-yl]methanol (PubChem CID 142936316) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is [2-[(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]-5-methyl-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]-5-methyl-1,3-oxazol-4-yl]methanol
PubChem CID142936316
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name[2-[(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]-5-methyl-1,3-oxazol-4-yl]methanol
SMILESC=C/C=c1/cc(-c2nc(CO)c(C)o2)cc/c1=C/C
InChIInChI=1S/C16H17NO2/c1-4-6-13-9-14(8-7-12(13)5-2)16-17-15(10-18)11(3)19-16/h4-9,18H,1,10H2,2-3H3/b12-5-,13-6-
InChIKeyFEKWAMSECOUEIC-VFWKFLPVSA-N
XLogP1.91
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]-5-methyl-1,3-oxazol-4-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

2-[2-[(1E,3E)-3-fluoro-4-methylhexa-1,3,5-trienyl]-4-methyl-1,3-oxazol-5-yl]ethanol
CID 142210041
3-[[2-(4-Fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol
CID 142936361
[4-methyl-2-[(2E,4Z)-7,7,7-trifluorohepta-2,4-dien-3-yl]-1,3-oxazol-5-yl]methanol
CID 143640551
[2-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1,3-oxazol-4-yl]methanol
CID 144223673
[5-Propan-2-yl-2-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazol-4-yl]methanol
CID 170147160
(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
1-[5-Methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethanol
CID 20730371
4,5-dimethyl-2-[(E,4Z)-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-1,3-oxazole
CID 71034978
2-methyl-6H-cyclohepta[d][1,3]oxazol-4-ol
CID 142101919
2-[2-[(E)-but-2-en-2-yl]-4-methyl-1,3-oxazol-5-yl]ethanol;ethane;prop-1-ene
CID 142209959
2-[2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methyl-1,3-oxazol-5-yl]ethanol
CID 142209964
(1Z,3E)-4-[4-(1-ethenoxyethenyl)-2-methyl-1,3-oxazol-5-yl]buta-1,3-dien-1-ol
CID 142839556

Frequently Asked Questions

What is the IUPAC name of [2-[(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]-5-methyl-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-[(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]-5-methyl-1,3-oxazol-4-yl]methanol (CID 142936316) is [2-[(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]-5-methyl-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-[(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]-5-methyl-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-[(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]-5-methyl-1,3-oxazol-4-yl]methanol is C=C/C=c1/cc(-c2nc(CO)c(C)o2)cc/c1=C/C.
What is the InChIKey of [2-[(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]-5-methyl-1,3-oxazol-4-yl]methanol?
The InChIKey is FEKWAMSECOUEIC-VFWKFLPVSA-N. The full InChI is InChI=1S/C16H17NO2/c1-4-6-13-9-14(8-7-12(13)5-2)16-17-15(10-18)11(3)19-16/h4-9,18H,1,10H2,2-3H3/b12-5-,13-6-.
What are the key properties of [2-[(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]-5-methyl-1,3-oxazol-4-yl]methanol?
[2-[(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]-5-methyl-1,3-oxazol-4-yl]methanol has a molecular weight of 255.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]-5-methyl-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 142936316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).