3-[[2-(4-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol

C17H22FNO3 — CID 142936361

IUPAC3-[[2-(4-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol
SMILESCc1oc(C2=CCC(F)C=C2)nc1COC1CCCC(O)C1
InChIInChI=1S/C17H22FNO3/c1-11-16(10-21-15-4-2-3-14(20)9-15)19-17(22-11)12-5-7-13(18)8-6-12/h5-7,13-15,20H,2-4,8-10H2,1H3
InChIKeyNYRZFHPTBOLEPG-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.48
Rot. Bonds4

About 3-[[2-(4-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol

3-[[2-(4-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol (PubChem CID 142936361) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is 3-[[2-(4-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[2-(4-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol
PubChem CID142936361
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name3-[[2-(4-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol
SMILESCc1oc(C2=CCC(F)C=C2)nc1COC1CCCC(O)C1
InChIInChI=1S/C17H22FNO3/c1-11-16(10-21-15-4-2-3-14(20)9-15)19-17(22-11)12-5-7-13(18)8-6-12/h5-7,13-15,20H,2-4,8-10H2,1H3
InChIKeyNYRZFHPTBOLEPG-UHFFFAOYSA-N
XLogP3.48
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R,3S)-3-[[2-(4-fluorocyclohexa-1,3-dien-1-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyacetaldehyde
CID 89167273
(E)-2-ethyl-4-[(1R,3S)-3-[[2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxybut-2-enoic acid
CID 142936460
(E)-2-ethyl-4-[3-[[2-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxybut-2-enoic acid
CID 142936492
4-[3-[[5-Methyl-2-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]oxy-3-(2-methylpropoxy)but-1-en-2-ol
CID 162579885
[(2Z)-1-[4-[[(1S,3R)-3-hydroxycyclohexyl]oxymethyl]-5-methyl-1,3-oxazol-2-yl]penta-2,4-dienylidene]tungsten
CID 59659173
[(2Z)-1-[4-[[(1S,3R)-3-(2-ethoxycarbonylprop-2-enoxy)cyclohexyl]oxymethyl]-5-methyl-1,3-oxazol-2-yl]penta-2,4-dienylidene]tungsten
CID 59659254
(2-Cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methanol;cyclohexane
CID 142936229
Acetylene;ethane;3-[3-[[5-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxypropan-1-amine
CID 142936253
ethane;ethyl 1-[[3-[[2-[(2E,4Z)-hepta-2,4-dien-2-yl]-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]cyclopropane-1-carboxylate
CID 142936454
ethyl 2-[[3-[[5-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]prop-2-enoate;N-methylpent-4-en-1-amine
CID 142936519
3-[[3-[(2-Cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)methoxy]cyclohexen-1-yl]methylsulfanyl]prop-1-en-2-ol
CID 163489532
[(2Z)-1-[4-[[(1S,3R)-3-hydroxycyclohexyl]oxymethyl]-5-methyl-1,3-oxazol-2-yl]penta-2,4-dienylidene]tungsten
CID 59659174

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol?
The IUPAC name of 3-[[2-(4-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol (CID 142936361) is 3-[[2-(4-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol.
What is the SMILES notation for 3-[[2-(4-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol?
The canonical SMILES for 3-[[2-(4-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol is Cc1oc(C2=CCC(F)C=C2)nc1COC1CCCC(O)C1.
What is the InChIKey of 3-[[2-(4-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol?
The InChIKey is NYRZFHPTBOLEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-11-16(10-21-15-4-2-3-14(20)9-15)19-17(22-11)12-5-7-13(18)8-6-12/h5-7,13-15,20H,2-4,8-10H2,1H3.
What are the key properties of 3-[[2-(4-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol?
3-[[2-(4-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol has a molecular weight of 307.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorocyclohexa-1,5-dien-1-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol is sourced from PubChem (CID 142936361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).