4-[5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-2-methylbenzamide

C21H23N3O4 — CID 143783911

IUPAC4-[5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-2-methylbenzamide
SMILESCOCc1cc(-c2nc(-c3ccc(C(N)=O)c(C)c3)no2)ccc1OC(C)C
InChIInChI=1S/C21H23N3O4/c1-12(2)27-18-8-6-15(10-16(18)11-26-4)21-23-20(24-28-21)14-5-7-17(19(22)25)13(3)9-14/h5-10,12H,11H2,1-4H3,(H2,22,25)
InChIKeySLTDQERLHAYXCW-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.74
Rot. Bonds7

About 4-[5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-2-methylbenzamide

4-[5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-2-methylbenzamide (PubChem CID 143783911) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-[5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-2-methylbenzamide.

Molecular Properties

Compound Name4-[5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-2-methylbenzamide
PubChem CID143783911
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name4-[5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-2-methylbenzamide
SMILESCOCc1cc(-c2nc(-c3ccc(C(N)=O)c(C)c3)no2)ccc1OC(C)C
InChIInChI=1S/C21H23N3O4/c1-12(2)27-18-8-6-15(10-16(18)11-26-4)21-23-20(24-28-21)14-5-7-17(19(22)25)13(3)9-14/h5-10,12H,11H2,1-4H3,(H2,22,25)
InChIKeySLTDQERLHAYXCW-UHFFFAOYSA-N
XLogP3.74
TPSA100.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 174733244
2-fluoro-4-[5-[4-[2-(methoxymethyl)phenyl]-3-methylphenyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 25255478
2-fluoro-4-[5-[4-(2-methylphenyl)-3-(2-methylpropoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzamide
CID 143783912
3-[3-methyl-4-[5-(3-methyl-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid
CID 11646599
methyl 2-chloro-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoate
CID 66678050
1-[2-fluoro-4-[5-[4-[2-(methoxymethyl)phenyl]-3-methylphenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethenamine
CID 143784157
ethyl 3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoate
CID 67288846
1-[2-methyl-4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethane-1,2-diol
CID 151221212
5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]isoindole-2-carboxylic acid
CID 67230085
5-(chloromethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 16779156
ethyl 2-[4-[3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenoxy]propanoate
CID 76777846
ethyl (2R)-2-[4-[3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenoxy]propanoate
CID 58404479

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-2-methylbenzamide?
The IUPAC name of 4-[5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-2-methylbenzamide (CID 143783911) is 4-[5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for 4-[5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-2-methylbenzamide?
The canonical SMILES for 4-[5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-2-methylbenzamide is COCc1cc(-c2nc(-c3ccc(C(N)=O)c(C)c3)no2)ccc1OC(C)C.
What is the InChIKey of 4-[5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-2-methylbenzamide?
The InChIKey is SLTDQERLHAYXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-12(2)27-18-8-6-15(10-16(18)11-26-4)21-23-20(24-28-21)14-5-7-17(19(22)25)13(3)9-14/h5-10,12H,11H2,1-4H3,(H2,22,25).
What are the key properties of 4-[5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-2-methylbenzamide?
4-[5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-2-methylbenzamide has a molecular weight of 381.43 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-2-methylbenzamide is sourced from PubChem (CID 143783911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).