1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

C22H23N3O4S — CID 18825733

IUPAC1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESCc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(N2CCC(C(N)=O)CC2)o1
InChIInChI=1S/C22H23N3O4S/c1-15-7-5-6-10-18(15)20-24-21(30(27,28)17-8-3-2-4-9-17)22(29-20)25-13-11-16(12-14-25)19(23)26/h2-10,16H,11-14H2,1H3,(H2,23,26)
InChIKeyKLVJXRQJQOOCGS-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.18
Rot. Bonds5

About 1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (PubChem CID 18825733) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
PubChem CID18825733
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESCc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(N2CCC(C(N)=O)CC2)o1
InChIInChI=1S/C22H23N3O4S/c1-15-7-5-6-10-18(15)20-24-21(30(27,28)17-8-3-2-4-9-17)22(29-20)25-13-11-16(12-14-25)19(23)26/h2-10,16H,11-14H2,1H3,(H2,23,26)
InChIKeyKLVJXRQJQOOCGS-UHFFFAOYSA-N
XLogP3.18
TPSA106.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(benzenesulfonyl)-2-(2-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 1244728
1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 4825656
1-[4-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 3447007
4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18824800
4-(4-chlorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18824802
4-[2-(2-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
CID 1154472
4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole
CID 18824785
1-[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 18826419
5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazole
CID 18825244
1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 16649664
5-(azepan-1-yl)-4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazole
CID 1316588
4-(benzenesulfonyl)-2-(4-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole
CID 18824739

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (CID 18825733) is 1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is Cc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(N2CCC(C(N)=O)CC2)o1.
What is the InChIKey of 1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The InChIKey is KLVJXRQJQOOCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-15-7-5-6-10-18(15)20-24-21(30(27,28)17-8-3-2-4-9-17)22(29-20)25-13-11-16(12-14-25)19(23)26/h2-10,16H,11-14H2,1H3,(H2,23,26).
What are the key properties of 1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 18825733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).