5-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

C23H26N4O6S — CID 50837275

IUPAC5-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1
InChIInChI=1S/C23H26N4O6S/c1-16(2)32-19-7-3-17(4-8-19)15-24-21(28)23-26-25-22(33-23)18-5-9-20(10-6-18)34(29,30)27-11-13-31-14-12-27/h3-10,16H,11-15H2,1-2H3,(H,24,28)
InChIKeyREWSMKVWUBZPNS-UHFFFAOYSA-N
MW486.55 g/mol
LogP2.47
Rot. Bonds8

About 5-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

5-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 50837275) has the molecular formula C23H26N4O6S and a molecular weight of 486.55 g/mol. Its IUPAC name is 5-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID50837275
Molecular FormulaC23H26N4O6S
Molecular Weight486.55 g/mol
Exact Mass486.16
IUPAC Name5-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1
InChIInChI=1S/C23H26N4O6S/c1-16(2)32-19-7-3-17(4-8-19)15-24-21(28)23-26-25-22(33-23)18-5-9-20(10-6-18)34(29,30)27-11-13-31-14-12-27/h3-10,16H,11-15H2,1-2H3,(H,24,28)
InChIKeyREWSMKVWUBZPNS-UHFFFAOYSA-N
XLogP2.47
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-methylphenyl)methyl]-5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837208
N-[[4-(dimethylamino)phenyl]methyl]-5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837254
N-[(3-methoxyphenyl)methyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837187
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
5-(4-piperidin-1-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837184
1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 55741388
N-(3-methylbutyl)-5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3,4-oxadiazole-2-carboxamide
CID 53131877
N-[(2S)-butan-2-yl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 92898468
[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 50837253
2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
CID 18148823
methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate
CID 9331081
(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271587

Frequently Asked Questions

What is the IUPAC name of 5-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 50837275) is 5-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is CC(C)Oc1ccc(CNC(=O)c2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1.
What is the InChIKey of 5-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is REWSMKVWUBZPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6S/c1-16(2)32-19-7-3-17(4-8-19)15-24-21(28)23-26-25-22(33-23)18-5-9-20(10-6-18)34(29,30)27-11-13-31-14-12-27/h3-10,16H,11-15H2,1-2H3,(H,24,28).
What are the key properties of 5-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
5-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 486.55 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 50837275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).