4-[5-methyl-4-(piperidin-1-ylsulfonylmethyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide

C23H26N4O4S — CID 123477599

IUPAC4-[5-methyl-4-(piperidin-1-ylsulfonylmethyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1oc(-c2ccc(C(=O)NCc3cccnc3)cc2)nc1CS(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H26N4O4S/c1-17-21(16-32(29,30)27-12-3-2-4-13-27)26-23(31-17)20-9-7-19(8-10-20)22(28)25-15-18-6-5-11-24-14-18/h5-11,14H,2-4,12-13,15-16H2,1H3,(H,25,28)
InChIKeyVPBUAQQVCAZNQK-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.29
Rot. Bonds7

About 4-[5-methyl-4-(piperidin-1-ylsulfonylmethyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide

4-[5-methyl-4-(piperidin-1-ylsulfonylmethyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 123477599) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 4-[5-methyl-4-(piperidin-1-ylsulfonylmethyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[5-methyl-4-(piperidin-1-ylsulfonylmethyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID123477599
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name4-[5-methyl-4-(piperidin-1-ylsulfonylmethyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1oc(-c2ccc(C(=O)NCc3cccnc3)cc2)nc1CS(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H26N4O4S/c1-17-21(16-32(29,30)27-12-3-2-4-13-27)26-23(31-17)20-9-7-19(8-10-20)22(28)25-15-18-6-5-11-24-14-18/h5-11,14H,2-4,12-13,15-16H2,1H3,(H,25,28)
InChIKeyVPBUAQQVCAZNQK-UHFFFAOYSA-N
XLogP3.29
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(4-tert-butylphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 56963458
4-[4-(4-aminohexylsulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 123621423
4-[5-ethyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 71471661
4-[4-[[4-[3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]phenyl]sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 86709131
5-(4-piperidin-1-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837184
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide
CID 3240583
5-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 17441319
N-benzyl-4-[4-[(3-methoxyphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide
CID 71471936
N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044237
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 20917018
3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53010140
2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 37172492

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-4-(piperidin-1-ylsulfonylmethyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[5-methyl-4-(piperidin-1-ylsulfonylmethyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide (CID 123477599) is 4-[5-methyl-4-(piperidin-1-ylsulfonylmethyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[5-methyl-4-(piperidin-1-ylsulfonylmethyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[5-methyl-4-(piperidin-1-ylsulfonylmethyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide is Cc1oc(-c2ccc(C(=O)NCc3cccnc3)cc2)nc1CS(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-[5-methyl-4-(piperidin-1-ylsulfonylmethyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is VPBUAQQVCAZNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-17-21(16-32(29,30)27-12-3-2-4-13-27)26-23(31-17)20-9-7-19(8-10-20)22(28)25-15-18-6-5-11-24-14-18/h5-11,14H,2-4,12-13,15-16H2,1H3,(H,25,28).
What are the key properties of 4-[5-methyl-4-(piperidin-1-ylsulfonylmethyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide?
4-[5-methyl-4-(piperidin-1-ylsulfonylmethyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 454.55 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-4-(piperidin-1-ylsulfonylmethyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 123477599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).