[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-2-carboxylate

C20H17N3O3 — CID 166189516

IUPAC[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-2-carboxylate
SMILESCc1cccc(-c2nnc(COC(=O)c3cc4ccccc4n3C)o2)c1
InChIInChI=1S/C20H17N3O3/c1-13-6-5-8-15(10-13)19-22-21-18(26-19)12-25-20(24)17-11-14-7-3-4-9-16(14)23(17)2/h3-11H,12H2,1-2H3
InChIKeyZUYKNQRMEOKBQJ-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.89
Rot. Bonds4

About [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-2-carboxylate

[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-2-carboxylate (PubChem CID 166189516) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-2-carboxylate.

Molecular Properties

Compound Name[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-2-carboxylate
PubChem CID166189516
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-2-carboxylate
SMILESCc1cccc(-c2nnc(COC(=O)c3cc4ccccc4n3C)o2)c1
InChIInChI=1S/C20H17N3O3/c1-13-6-5-8-15(10-13)19-22-21-18(26-19)12-25-20(24)17-11-14-7-3-4-9-16(14)23(17)2/h3-11H,12H2,1-2H3
InChIKeyZUYKNQRMEOKBQJ-UHFFFAOYSA-N
XLogP3.89
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(hydroxymethyl)benzoate
CID 8845155
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-cyanobenzoate
CID 9201836
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetamidobenzoate
CID 9015747
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 9491145
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,4-dichloro-5-fluorobenzoate
CID 8627067
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate
CID 9343649
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,4,6-trimethylbenzoate
CID 7472802
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxylate
CID 86887026
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3-methylphenoxy)acetate
CID 7853413
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylpropanoate
CID 155945469
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 78846668
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 2669364

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-2-carboxylate?
The IUPAC name of [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-2-carboxylate (CID 166189516) is [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-2-carboxylate.
What is the SMILES notation for [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-2-carboxylate?
The canonical SMILES for [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-2-carboxylate is Cc1cccc(-c2nnc(COC(=O)c3cc4ccccc4n3C)o2)c1.
What is the InChIKey of [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-2-carboxylate?
The InChIKey is ZUYKNQRMEOKBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-13-6-5-8-15(10-13)19-22-21-18(26-19)12-25-20(24)17-11-14-7-3-4-9-16(14)23(17)2/h3-11H,12H2,1-2H3.
What are the key properties of [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-2-carboxylate?
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-2-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-2-carboxylate is sourced from PubChem (CID 166189516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).