5-[[(3E,5E)-3,5-difluoro-2-methylidenehepta-3,5-dienoxy]methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide

C18H22F2N2O4 — CID 134390272

IUPAC5-[[(3E,5E)-3,5-difluoro-2-methylidenehepta-3,5-dienoxy]methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESC=C(COCc1cc(C(=O)NCC2CCOC2)no1)/C(F)=C\C(F)=C/C
InChIInChI=1S/C18H22F2N2O4/c1-3-14(19)6-16(20)12(2)9-25-11-15-7-17(22-26-15)18(23)21-8-13-4-5-24-10-13/h3,6-7,13H,2,4-5,8-11H2,1H3,(H,21,23)/b14-3+,16-6+
InChIKeyHRAAHIQXJIRTPU-RZKPQKMJSA-N
MW368.38 g/mol
LogP3.24
Rot. Bonds9

About 5-[[(3E,5E)-3,5-difluoro-2-methylidenehepta-3,5-dienoxy]methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide

5-[[(3E,5E)-3,5-difluoro-2-methylidenehepta-3,5-dienoxy]methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 134390272) has the molecular formula C18H22F2N2O4 and a molecular weight of 368.38 g/mol. Its IUPAC name is 5-[[(3E,5E)-3,5-difluoro-2-methylidenehepta-3,5-dienoxy]methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[(3E,5E)-3,5-difluoro-2-methylidenehepta-3,5-dienoxy]methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID134390272
Molecular FormulaC18H22F2N2O4
Molecular Weight368.38 g/mol
Exact Mass368.15
IUPAC Name5-[[(3E,5E)-3,5-difluoro-2-methylidenehepta-3,5-dienoxy]methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESC=C(COCc1cc(C(=O)NCC2CCOC2)no1)/C(F)=C\C(F)=C/C
InChIInChI=1S/C18H22F2N2O4/c1-3-14(19)6-16(20)12(2)9-25-11-15-7-17(22-26-15)18(23)21-8-13-4-5-24-10-13/h3,6-7,13H,2,4-5,8-11H2,1H3,(H,21,23)/b14-3+,16-6+
InChIKeyHRAAHIQXJIRTPU-RZKPQKMJSA-N
XLogP3.24
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(methoxymethyl)-N-[2-(2-methylpropyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 75446716
5-(methoxymethyl)-N-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2,2,4,4-tetramethylcyclobutyl]-1,2-oxazole-3-carboxamide
CID 75534327
5-methyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-3-carboxamide
CID 94598736
Methyl 3-(cycloheptylcarbamoyl)-1,2-oxazole-5-carboxylate
CID 121560384
N-[(1S)-1-cyclopropylethyl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 137993470
5-(methoxymethyl)-N-[(3S)-1-propanoylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 164631414
N-[(3R)-4,4-dimethyloxolan-3-yl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 164641962
N-(tetrahydrofuran-3-ylmethyl)-5-(4-methoxymethyl-2,3,5,6-tetrafluorobenzyl)oxymethylisoxazole-3-carboxamide
CID 90325654
N-(tetrahydrofuran-3-ylmethyl)-5-(2,5-difluorobenzyloxymethyl)isoxazole-3-carboxamide
CID 90325752
N-(tetrahydrofuran-3-ylmethyl)-5-(3,4,5-trifluorobenzyloxymethyl)isoxazole-3-carboxamide
CID 90325760
N-(tetrahydrofuran-3-ylmethyl)-5-(4-methyl-2,3,5,6-tetrafluorobenzyloxymethyl)isoxazole-3-carboxamide
CID 90325761
N-(oxolan-3-ylmethyl)-5-[(2,2,2-trifluoro-1-phenylethoxy)methyl]-1,2-oxazole-3-carboxamide
CID 90325836

Frequently Asked Questions

What is the IUPAC name of 5-[[(3E,5E)-3,5-difluoro-2-methylidenehepta-3,5-dienoxy]methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[(3E,5E)-3,5-difluoro-2-methylidenehepta-3,5-dienoxy]methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 134390272) is 5-[[(3E,5E)-3,5-difluoro-2-methylidenehepta-3,5-dienoxy]methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[(3E,5E)-3,5-difluoro-2-methylidenehepta-3,5-dienoxy]methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[(3E,5E)-3,5-difluoro-2-methylidenehepta-3,5-dienoxy]methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is C=C(COCc1cc(C(=O)NCC2CCOC2)no1)/C(F)=C\C(F)=C/C.
What is the InChIKey of 5-[[(3E,5E)-3,5-difluoro-2-methylidenehepta-3,5-dienoxy]methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HRAAHIQXJIRTPU-RZKPQKMJSA-N. The full InChI is InChI=1S/C18H22F2N2O4/c1-3-14(19)6-16(20)12(2)9-25-11-15-7-17(22-26-15)18(23)21-8-13-4-5-24-10-13/h3,6-7,13H,2,4-5,8-11H2,1H3,(H,21,23)/b14-3+,16-6+.
What are the key properties of 5-[[(3E,5E)-3,5-difluoro-2-methylidenehepta-3,5-dienoxy]methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[[(3E,5E)-3,5-difluoro-2-methylidenehepta-3,5-dienoxy]methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 368.38 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3E,5E)-3,5-difluoro-2-methylidenehepta-3,5-dienoxy]methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 134390272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).