N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C22H19F2N5O3 — CID 151741682

IUPACN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)Nc1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C22H19F2N5O3/c1-13-21(28-32-27-13)22(30)26-18-10-14(12-25)2-4-19(18)29-8-6-16(7-9-29)31-20-5-3-15(23)11-17(20)24/h2-5,10-11,16H,6-9H2,1H3,(H,26,30)
InChIKeyRMRCDAWNFMASNL-UHFFFAOYSA-N
MW439.42 g/mol
LogP3.83
Rot. Bonds5

About N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 151741682) has the molecular formula C22H19F2N5O3 and a molecular weight of 439.42 g/mol. Its IUPAC name is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID151741682
Molecular FormulaC22H19F2N5O3
Molecular Weight439.42 g/mol
Exact Mass439.15
IUPAC NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)Nc1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C22H19F2N5O3/c1-13-21(28-32-27-13)22(30)26-18-10-14(12-25)2-4-19(18)29-8-6-16(7-9-29)31-20-5-3-15(23)11-17(20)24/h2-5,10-11,16H,6-9H2,1H3,(H,26,30)
InChIKeyRMRCDAWNFMASNL-UHFFFAOYSA-N
XLogP3.83
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 151741682) is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)Nc1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1.
What is the InChIKey of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is RMRCDAWNFMASNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O3/c1-13-21(28-32-27-13)22(30)26-18-10-14(12-25)2-4-19(18)29-8-6-16(7-9-29)31-20-5-3-15(23)11-17(20)24/h2-5,10-11,16H,6-9H2,1H3,(H,26,30).
What are the key properties of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 439.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 151741682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).