N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylaniline

C24H29N5O4S — CID 55680981

IUPACN-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylaniline
SMILESCc1cccc(-c2noc(CNc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)n2)c1
InChIInChI=1S/C24H29N5O4S/c1-18-5-4-6-19(15-18)24-26-23(33-27-24)17-25-21-16-20(7-8-22(21)28-9-2-3-10-28)34(30,31)29-11-13-32-14-12-29/h4-8,15-16,25H,2-3,9-14,17H2,1H3
InChIKeyOZOYAQNPVCYXFL-UHFFFAOYSA-N
MW483.59 g/mol
LogP3.28
Rot. Bonds7

About N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylaniline

N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylaniline (PubChem CID 55680981) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylaniline
PubChem CID55680981
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC NameN-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylaniline
SMILESCc1cccc(-c2noc(CNc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)n2)c1
InChIInChI=1S/C24H29N5O4S/c1-18-5-4-6-19(15-18)24-26-23(33-27-24)17-25-21-16-20(7-8-22(21)28-9-2-3-10-28)34(30,31)29-11-13-32-14-12-29/h4-8,15-16,25H,2-3,9-14,17H2,1H3
InChIKeyOZOYAQNPVCYXFL-UHFFFAOYSA-N
XLogP3.28
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline
CID 55411303
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 38139961
4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine
CID 53042642
methyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate
CID 55463879
(3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30153369
5-(3-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075263
5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 4849644
3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-oxazole-5-carboxamide
CID 43031283
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133314630
ethyl 2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)methyl]furan-3-carboxylate
CID 24624008
1-ethyl-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiourea
CID 4829989
5-[(3-methylphenoxy)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 46329211

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylaniline?
The IUPAC name of N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylaniline (CID 55680981) is N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylaniline is Cc1cccc(-c2noc(CNc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)n2)c1.
What is the InChIKey of N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylaniline?
The InChIKey is OZOYAQNPVCYXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-18-5-4-6-19(15-18)24-26-23(33-27-24)17-25-21-16-20(7-8-22(21)28-9-2-3-10-28)34(30,31)29-11-13-32-14-12-29/h4-8,15-16,25H,2-3,9-14,17H2,1H3.
What are the key properties of N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylaniline?
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylaniline has a molecular weight of 483.59 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylaniline is sourced from PubChem (CID 55680981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).