3-(1-methoxypropan-2-yloxy)-5-[4-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenoxy]-N-(1,3-thiazol-2-yl)benzamide

C26H28N4O5S — CID 88531682

IUPAC3-(1-methoxypropan-2-yloxy)-5-[4-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenoxy]-N-(1,3-thiazol-2-yl)benzamide
SMILESCOCC(C)Oc1cc(Oc2ccc(-c3nnc(CC(C)C)o3)cc2)cc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C26H28N4O5S/c1-16(2)11-23-29-30-25(35-23)18-5-7-20(8-6-18)34-22-13-19(24(31)28-26-27-9-10-36-26)12-21(14-22)33-17(3)15-32-4/h5-10,12-14,16-17H,11,15H2,1-4H3,(H,27,28,31)
InChIKeyRIUDPSOCXNROJN-UHFFFAOYSA-N
MW508.60 g/mol
LogP5.85
Rot. Bonds11

About 3-(1-methoxypropan-2-yloxy)-5-[4-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenoxy]-N-(1,3-thiazol-2-yl)benzamide

3-(1-methoxypropan-2-yloxy)-5-[4-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenoxy]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 88531682) has the molecular formula C26H28N4O5S and a molecular weight of 508.60 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-yloxy)-5-[4-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenoxy]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(1-methoxypropan-2-yloxy)-5-[4-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenoxy]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID88531682
Molecular FormulaC26H28N4O5S
Molecular Weight508.60 g/mol
Exact Mass508.18
IUPAC Name3-(1-methoxypropan-2-yloxy)-5-[4-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenoxy]-N-(1,3-thiazol-2-yl)benzamide
SMILESCOCC(C)Oc1cc(Oc2ccc(-c3nnc(CC(C)C)o3)cc2)cc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C26H28N4O5S/c1-16(2)11-23-29-30-25(35-23)18-5-7-20(8-6-18)34-22-13-19(24(31)28-26-27-9-10-36-26)12-21(14-22)33-17(3)15-32-4/h5-10,12-14,16-17H,11,15H2,1-4H3,(H,27,28,31)
InChIKeyRIUDPSOCXNROJN-UHFFFAOYSA-N
XLogP5.85
TPSA108.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.60
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 88532254
3-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide
CID 73426769
3-(1-methoxypropan-2-yloxy)-5-[4-(4-methylpiperazine-1-carbonyl)phenoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 72992298
3-[(2S)-1-methoxypropan-2-yl]oxy-5-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 73426874
2-[[3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzoyl]amino]-1,3-thiazole-5-carboxamide
CID 87220867
N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide
CID 88532151
3-[3-(2-methoxyethylcarbamoyl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide
CID 58133624
3-[4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 87429591
3-[4-(1-hydroxypropyl)phenoxy]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
CID 10431822
3-[2-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide
CID 87349662
3-[(E)-2-(4-fluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide
CID 87349177
methyl N-[[4-[3-propan-2-yloxy-5-(1,3-thiazol-2-ylcarbamoyl)phenoxy]phenyl]methyl]carbamate
CID 23093077

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-yloxy)-5-[4-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenoxy]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(1-methoxypropan-2-yloxy)-5-[4-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenoxy]-N-(1,3-thiazol-2-yl)benzamide (CID 88531682) is 3-(1-methoxypropan-2-yloxy)-5-[4-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenoxy]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(1-methoxypropan-2-yloxy)-5-[4-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenoxy]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(1-methoxypropan-2-yloxy)-5-[4-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenoxy]-N-(1,3-thiazol-2-yl)benzamide is COCC(C)Oc1cc(Oc2ccc(-c3nnc(CC(C)C)o3)cc2)cc(C(=O)Nc2nccs2)c1.
What is the InChIKey of 3-(1-methoxypropan-2-yloxy)-5-[4-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenoxy]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is RIUDPSOCXNROJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5S/c1-16(2)11-23-29-30-25(35-23)18-5-7-20(8-6-18)34-22-13-19(24(31)28-26-27-9-10-36-26)12-21(14-22)33-17(3)15-32-4/h5-10,12-14,16-17H,11,15H2,1-4H3,(H,27,28,31).
What are the key properties of 3-(1-methoxypropan-2-yloxy)-5-[4-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenoxy]-N-(1,3-thiazol-2-yl)benzamide?
3-(1-methoxypropan-2-yloxy)-5-[4-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenoxy]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 508.60 g/mol, XLogP of 5.85, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-yloxy)-5-[4-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenoxy]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 88531682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).