N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide

C24H27FN4O4S — CID 67703736

IUPACN-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2nnc(C(=O)NCCC3CCN(Cc4ccc(F)cc4)CC3)o2)cc1
InChIInChI=1S/C24H27FN4O4S/c1-34(31,32)21-8-4-19(5-9-21)23-27-28-24(33-23)22(30)26-13-10-17-11-14-29(15-12-17)16-18-2-6-20(25)7-3-18/h2-9,17H,10-16H2,1H3,(H,26,30)
InChIKeyFBOQMAOSLGVDRX-UHFFFAOYSA-N
MW486.57 g/mol
LogP3.31
Rot. Bonds8

About N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide

N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 67703736) has the molecular formula C24H27FN4O4S and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID67703736
Molecular FormulaC24H27FN4O4S
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC NameN-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2nnc(C(=O)NCCC3CCN(Cc4ccc(F)cc4)CC3)o2)cc1
InChIInChI=1S/C24H27FN4O4S/c1-34(31,32)21-8-4-19(5-9-21)23-27-28-24(33-23)22(30)26-13-10-17-11-14-29(15-12-17)16-18-2-6-20(25)7-3-18/h2-9,17H,10-16H2,1H3,(H,26,30)
InChIKeyFBOQMAOSLGVDRX-UHFFFAOYSA-N
XLogP3.31
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 67703736) is N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide is CS(=O)(=O)c1ccc(-c2nnc(C(=O)NCCC3CCN(Cc4ccc(F)cc4)CC3)o2)cc1.
What is the InChIKey of N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is FBOQMAOSLGVDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4S/c1-34(31,32)21-8-4-19(5-9-21)23-27-28-24(33-23)22(30)26-13-10-17-11-14-29(15-12-17)16-18-2-6-20(25)7-3-18/h2-9,17H,10-16H2,1H3,(H,26,30).
What are the key properties of N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide?
N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 67703736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).