4,4-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxamide

C13H18F2N4O2 — CID 102703124

IUPAC4,4-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1nnc(C2CCCN2)o1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H18F2N4O2/c14-13(15)5-3-8(4-6-13)10(20)17-12-19-18-11(21-12)9-2-1-7-16-9/h8-9,16H,1-7H2,(H,17,19,20)
InChIKeyCWUDGNHPDDLWBJ-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.26
Rot. Bonds3

About 4,4-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxamide

4,4-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 102703124) has the molecular formula C13H18F2N4O2 and a molecular weight of 300.31 g/mol. Its IUPAC name is 4,4-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID102703124
Molecular FormulaC13H18F2N4O2
Molecular Weight300.31 g/mol
Exact Mass300.14
IUPAC Name4,4-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1nnc(C2CCCN2)o1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H18F2N4O2/c14-13(15)5-3-8(4-6-13)10(20)17-12-19-18-11(21-12)9-2-1-7-16-9/h8-9,16H,1-7H2,(H,17,19,20)
InChIKeyCWUDGNHPDDLWBJ-UHFFFAOYSA-N
XLogP2.26
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxamide (CID 102703124) is 4,4-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxamide is O=C(Nc1nnc(C2CCCN2)o1)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is CWUDGNHPDDLWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N4O2/c14-13(15)5-3-8(4-6-13)10(20)17-12-19-18-11(21-12)9-2-1-7-16-9/h8-9,16H,1-7H2,(H,17,19,20).
What are the key properties of 4,4-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxamide?
4,4-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 102703124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).