N-benzyl-4-[4-[(3-methoxyphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide

C26H24N2O5S — CID 71471936

IUPACN-benzyl-4-[4-[(3-methoxyphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide
SMILESCOc1cccc(S(=O)(=O)Cc2nc(-c3ccc(C(=O)NCc4ccccc4)cc3)oc2C)c1
InChIInChI=1S/C26H24N2O5S/c1-18-24(17-34(30,31)23-10-6-9-22(15-23)32-2)28-26(33-18)21-13-11-20(12-14-21)25(29)27-16-19-7-4-3-5-8-19/h3-15H,16-17H2,1-2H3,(H,27,29)
InChIKeyCWOIHDLGIGGSSI-UHFFFAOYSA-N
MW476.55 g/mol
LogP4.56
Rot. Bonds8

About N-benzyl-4-[4-[(3-methoxyphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide

N-benzyl-4-[4-[(3-methoxyphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide (PubChem CID 71471936) has the molecular formula C26H24N2O5S and a molecular weight of 476.55 g/mol. Its IUPAC name is N-benzyl-4-[4-[(3-methoxyphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[4-[(3-methoxyphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide
PubChem CID71471936
Molecular FormulaC26H24N2O5S
Molecular Weight476.55 g/mol
Exact Mass476.14
IUPAC NameN-benzyl-4-[4-[(3-methoxyphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide
SMILESCOc1cccc(S(=O)(=O)Cc2nc(-c3ccc(C(=O)NCc4ccccc4)cc3)oc2C)c1
InChIInChI=1S/C26H24N2O5S/c1-18-24(17-34(30,31)23-10-6-9-22(15-23)32-2)28-26(33-18)21-13-11-20(12-14-21)25(29)27-16-19-7-4-3-5-8-19/h3-15H,16-17H2,1-2H3,(H,27,29)
InChIKeyCWOIHDLGIGGSSI-UHFFFAOYSA-N
XLogP4.56
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-4-[4-[(3-cyanophenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide
CID 71471934
N-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide
CID 20916738
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
CID 20917014
4-[4-[(4-tert-butylphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 56963458
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 46277792
4-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 20955421
N-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277742
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415241
N-benzyl-4-[5-methyl-4-[[(S)-(4-methylphenyl)sulfinyl]methyl]-1,3-oxazol-2-yl]benzamide
CID 92706258
N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
CID 46277590
3-methoxy-N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415245
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 20917018

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[4-[(3-methoxyphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-benzyl-4-[4-[(3-methoxyphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide (CID 71471936) is N-benzyl-4-[4-[(3-methoxyphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-benzyl-4-[4-[(3-methoxyphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-benzyl-4-[4-[(3-methoxyphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide is COc1cccc(S(=O)(=O)Cc2nc(-c3ccc(C(=O)NCc4ccccc4)cc3)oc2C)c1.
What is the InChIKey of N-benzyl-4-[4-[(3-methoxyphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide?
The InChIKey is CWOIHDLGIGGSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5S/c1-18-24(17-34(30,31)23-10-6-9-22(15-23)32-2)28-26(33-18)21-13-11-20(12-14-21)25(29)27-16-19-7-4-3-5-8-19/h3-15H,16-17H2,1-2H3,(H,27,29).
What are the key properties of N-benzyl-4-[4-[(3-methoxyphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide?
N-benzyl-4-[4-[(3-methoxyphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide has a molecular weight of 476.55 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[4-[(3-methoxyphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 71471936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).