2-methyl-5-(4-phenylmethoxy-1H-indol-2-yl)-1,3,4-oxadiazole

C18H15N3O2 — CID 135794304

IUPAC2-methyl-5-(4-phenylmethoxy-1H-indol-2-yl)-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc3c(OCc4ccccc4)cccc3[nH]2)o1
InChIInChI=1S/C18H15N3O2/c1-12-20-21-18(23-12)16-10-14-15(19-16)8-5-9-17(14)22-11-13-6-3-2-4-7-13/h2-10,19H,11H2,1H3
InChIKeyHJCHRYRVWLQMII-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.11
Rot. Bonds4

About 2-methyl-5-(4-phenylmethoxy-1H-indol-2-yl)-1,3,4-oxadiazole

2-methyl-5-(4-phenylmethoxy-1H-indol-2-yl)-1,3,4-oxadiazole (PubChem CID 135794304) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-methyl-5-(4-phenylmethoxy-1H-indol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-(4-phenylmethoxy-1H-indol-2-yl)-1,3,4-oxadiazole
PubChem CID135794304
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-methyl-5-(4-phenylmethoxy-1H-indol-2-yl)-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc3c(OCc4ccccc4)cccc3[nH]2)o1
InChIInChI=1S/C18H15N3O2/c1-12-20-21-18(23-12)16-10-14-15(19-16)8-5-9-17(14)22-11-13-6-3-2-4-7-13/h2-10,19H,11H2,1H3
InChIKeyHJCHRYRVWLQMII-UHFFFAOYSA-N
XLogP4.11
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-bromophenoxy)methyl]phenyl]-5-methyl-1,3,4-oxadiazole
CID 19542609
1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol
CID 135794314
trimethyl-[(4-phenylmethoxy-1H-indol-2-yl)methyl]azanium iodide
CID 134990594
2-(4-phenylmethoxy-1H-indol-2-yl)ethanol
CID 152723537
(3-methyl-4-phenylmethoxy-1H-indol-2-yl)methanol
CID 154159403
2-(1H-indol-2-yl)-5-(methoxymethyl)-1,3,4-oxadiazole
CID 137221851
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
3-phenylmethoxy-1H-indol-2-amine
CID 152577928
1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene
CID 174337570
3,4-dimethyl-6,7-bis(phenylmethoxy)chromen-2-one
CID 10810185
phenyl-(4-phenylmethoxy-1H-benzimidazol-2-yl)methanol
CID 13162241
2-methyl-4-phenylmethoxy-1H-indole-7-carbonitrile
CID 174993082

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-phenylmethoxy-1H-indol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-(4-phenylmethoxy-1H-indol-2-yl)-1,3,4-oxadiazole (CID 135794304) is 2-methyl-5-(4-phenylmethoxy-1H-indol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-(4-phenylmethoxy-1H-indol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-(4-phenylmethoxy-1H-indol-2-yl)-1,3,4-oxadiazole is Cc1nnc(-c2cc3c(OCc4ccccc4)cccc3[nH]2)o1.
What is the InChIKey of 2-methyl-5-(4-phenylmethoxy-1H-indol-2-yl)-1,3,4-oxadiazole?
The InChIKey is HJCHRYRVWLQMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-12-20-21-18(23-12)16-10-14-15(19-16)8-5-9-17(14)22-11-13-6-3-2-4-7-13/h2-10,19H,11H2,1H3.
What are the key properties of 2-methyl-5-(4-phenylmethoxy-1H-indol-2-yl)-1,3,4-oxadiazole?
2-methyl-5-(4-phenylmethoxy-1H-indol-2-yl)-1,3,4-oxadiazole has a molecular weight of 305.34 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-phenylmethoxy-1H-indol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 135794304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).