3-(2,5-difluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide

C18H21F2N3O2 — CID 51092390

IUPAC3-(2,5-difluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
SMILESCc1nc(C2(NC(=O)CCc3cc(F)ccc3F)CCCCC2)no1
InChIInChI=1S/C18H21F2N3O2/c1-12-21-17(23-25-12)18(9-3-2-4-10-18)22-16(24)8-5-13-11-14(19)6-7-15(13)20/h6-7,11H,2-5,8-10H2,1H3,(H,22,24)
InChIKeyQGJSGVXFDGBEBT-UHFFFAOYSA-N
MW349.38 g/mol
LogP3.56
Rot. Bonds5

About 3-(2,5-difluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide

3-(2,5-difluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide (PubChem CID 51092390) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
PubChem CID51092390
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC Name3-(2,5-difluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
SMILESCc1nc(C2(NC(=O)CCc3cc(F)ccc3F)CCCCC2)no1
InChIInChI=1S/C18H21F2N3O2/c1-12-21-17(23-25-12)18(9-3-2-4-10-18)22-16(24)8-5-13-11-14(19)6-7-15(13)20/h6-7,11H,2-5,8-10H2,1H3,(H,22,24)
InChIKeyQGJSGVXFDGBEBT-UHFFFAOYSA-N
XLogP3.56
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide?
The IUPAC name of 3-(2,5-difluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide (CID 51092390) is 3-(2,5-difluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide is Cc1nc(C2(NC(=O)CCc3cc(F)ccc3F)CCCCC2)no1.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide?
The InChIKey is QGJSGVXFDGBEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c1-12-21-17(23-25-12)18(9-3-2-4-10-18)22-16(24)8-5-13-11-14(19)6-7-15(13)20/h6-7,11H,2-5,8-10H2,1H3,(H,22,24).
What are the key properties of 3-(2,5-difluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide?
3-(2,5-difluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide has a molecular weight of 349.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide is sourced from PubChem (CID 51092390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).