N-(oxolan-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide

C19H24N4O5S — CID 53010218

IUPACN-(oxolan-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCC1CCCO1)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1
InChIInChI=1S/C19H24N4O5S/c24-18(20-13-15-5-4-12-27-15)19-21-17(22-28-19)14-6-8-16(9-7-14)29(25,26)23-10-2-1-3-11-23/h6-9,15H,1-5,10-13H2,(H,20,24)
InChIKeyRRJDGNWEPCTCFY-UHFFFAOYSA-N
MW420.49 g/mol
LogP1.82
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide

N-(oxolan-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53010218) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID53010218
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC NameN-(oxolan-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCC1CCCO1)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1
InChIInChI=1S/C19H24N4O5S/c24-18(20-13-15-5-4-12-27-15)19-21-17(22-28-19)14-6-8-16(9-7-14)29(25,26)23-10-2-1-3-11-23/h6-9,15H,1-5,10-13H2,(H,20,24)
InChIKeyRRJDGNWEPCTCFY-UHFFFAOYSA-N
XLogP1.82
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 92898470
N-cyclopropyl-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 53010217
3-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472669
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53205292
N-[[(2R)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 1429463
N-[[(2S)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 1429464
5-(azepan-1-ylsulfonyl)-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 43882539
piperidin-1-yl-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanone
CID 53031173
N-(oxolan-2-ylmethyl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3178254
N-[2-(dimethylamino)ethyl]-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole-5-carboxamide
CID 53205247
N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole-5-carboxamide
CID 53205246
1-(oxolan-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 2957058

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide (CID 53010218) is N-(oxolan-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCC1CCCO1)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is RRJDGNWEPCTCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c24-18(20-13-15-5-4-12-27-15)19-21-17(22-28-19)14-6-8-16(9-7-14)29(25,26)23-10-2-1-3-11-23/h6-9,15H,1-5,10-13H2,(H,20,24).
What are the key properties of N-(oxolan-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide?
N-(oxolan-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53010218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).