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

C24H30N4O4S — CID 123621423

IUPAC4-[4-(4-aminohexylsulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCCC(N)CCCS(=O)(=O)Cc1nc(-c2ccc(C(=O)NCc3cccnc3)cc2)oc1C
InChIInChI=1S/C24H30N4O4S/c1-3-21(25)7-5-13-33(30,31)16-22-17(2)32-24(28-22)20-10-8-19(9-11-20)23(29)27-15-18-6-4-12-26-14-18/h4,6,8-12,14,21H,3,5,7,13,15-16,25H2,1-2H3,(H,27,29)
InChIKeyGPPKTJJZVGKJQE-UHFFFAOYSA-N
MW470.60 g/mol
LogP3.41
Rot. Bonds11

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

4-[4-(4-aminohexylsulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 123621423) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is 4-[4-(4-aminohexylsulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[4-(4-aminohexylsulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID123621423
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name4-[4-(4-aminohexylsulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCCC(N)CCCS(=O)(=O)Cc1nc(-c2ccc(C(=O)NCc3cccnc3)cc2)oc1C
InChIInChI=1S/C24H30N4O4S/c1-3-21(25)7-5-13-33(30,31)16-22-17(2)32-24(28-22)20-10-8-19(9-11-20)23(29)27-15-18-6-4-12-26-14-18/h4,6,8-12,14,21H,3,5,7,13,15-16,25H2,1-2H3,(H,27,29)
InChIKeyGPPKTJJZVGKJQE-UHFFFAOYSA-N
XLogP3.41
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-[5-methyl-4-(piperidin-1-ylsulfonylmethyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 123477599
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
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
4-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 20955421
4-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 87000480
N-benzyl-4-[4-[(3-cyanophenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide
CID 71471934
N-benzyl-4-[5-methyl-4-[[(S)-(4-methylphenyl)sulfinyl]methyl]-1,3-oxazol-2-yl]benzamide
CID 92706258
N-methyl-3-[[[4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzoyl]amino]methyl]pyridine-2-carboxamide
CID 71471733

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-aminohexylsulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[4-(4-aminohexylsulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide (CID 123621423) is 4-[4-(4-aminohexylsulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[4-(4-aminohexylsulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[4-(4-aminohexylsulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide is CCC(N)CCCS(=O)(=O)Cc1nc(-c2ccc(C(=O)NCc3cccnc3)cc2)oc1C.
What is the InChIKey of 4-[4-(4-aminohexylsulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is GPPKTJJZVGKJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-3-21(25)7-5-13-33(30,31)16-22-17(2)32-24(28-22)20-10-8-19(9-11-20)23(29)27-15-18-6-4-12-26-14-18/h4,6,8-12,14,21H,3,5,7,13,15-16,25H2,1-2H3,(H,27,29).
What are the key properties of 4-[4-(4-aminohexylsulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide?
4-[4-(4-aminohexylsulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 470.60 g/mol, XLogP of 3.41, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminohexylsulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 123621423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).