4,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide

C12H17F2N3O2 — CID 146123022

IUPAC4,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
SMILESCc1noc(CCNC(=O)C2CCC(F)(F)CC2)n1
InChIInChI=1S/C12H17F2N3O2/c1-8-16-10(19-17-8)4-7-15-11(18)9-2-5-12(13,14)6-3-9/h9H,2-7H2,1H3,(H,15,18)
InChIKeyMEMXSPCETVJIKI-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.86
Rot. Bonds4

About 4,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide

4,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 146123022) has the molecular formula C12H17F2N3O2 and a molecular weight of 273.28 g/mol. Its IUPAC name is 4,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID146123022
Molecular FormulaC12H17F2N3O2
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC Name4,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
SMILESCc1noc(CCNC(=O)C2CCC(F)(F)CC2)n1
InChIInChI=1S/C12H17F2N3O2/c1-8-16-10(19-17-8)4-7-15-11(18)9-2-5-12(13,14)6-3-9/h9H,2-7H2,1H3,(H,15,18)
InChIKeyMEMXSPCETVJIKI-UHFFFAOYSA-N
XLogP1.86
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 103796117
3-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106415377
N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide
CID 166266619
1-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119310003
1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111115226
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 113363786
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 120851636
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975923
4-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106414692
2-amino-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796130
(3R)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106416281
1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 106420807

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide (CID 146123022) is 4,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide is Cc1noc(CCNC(=O)C2CCC(F)(F)CC2)n1.
What is the InChIKey of 4,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is MEMXSPCETVJIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O2/c1-8-16-10(19-17-8)4-7-15-11(18)9-2-5-12(13,14)6-3-9/h9H,2-7H2,1H3,(H,15,18).
What are the key properties of 4,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 273.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 146123022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).