N-[2-(cyclohexen-1-yl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide

C19H20F2N2O3 — CID 24819331

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cc(COc2c(F)cccc2F)on1
InChIInChI=1S/C19H20F2N2O3/c20-15-7-4-8-16(21)18(15)25-12-14-11-17(23-26-14)19(24)22-10-9-13-5-2-1-3-6-13/h4-5,7-8,11H,1-3,6,9-10,12H2,(H,22,24)
InChIKeyQTYHSZABOKQGMQ-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.15
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24819331) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID24819331
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cc(COc2c(F)cccc2F)on1
InChIInChI=1S/C19H20F2N2O3/c20-15-7-4-8-16(21)18(15)25-12-14-11-17(23-26-14)19(24)22-10-9-13-5-2-1-3-6-13/h4-5,7-8,11H,1-3,6,9-10,12H2,(H,22,24)
InChIKeyQTYHSZABOKQGMQ-UHFFFAOYSA-N
XLogP4.15
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 24818973
CID 24818973
CID 16285974
CID 16285974
CID 24790673
CID 24790673
CID 24791199
CID 24791199
CID 3236696
CID 3236696
CID 3240242
CID 3240242
CID 3241359
CID 3241359
CID 3245765
CID 3245765
CID 3235773
CID 3235773
CID 5309670
CID 5309670
CID 16187298
CID 16187298
CID 16188379
CID 16188379

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 24819331) is N-[2-(cyclohexen-1-yl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide is O=C(NCCC1=CCCCC1)c1cc(COc2c(F)cccc2F)on1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QTYHSZABOKQGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c20-15-7-4-8-16(21)18(15)25-12-14-11-17(23-26-14)19(24)22-10-9-13-5-2-1-3-6-13/h4-5,7-8,11H,1-3,6,9-10,12H2,(H,22,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24819331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).