5-(4-methoxy-2-methylphenyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole

C17H14N4O2 — CID 154756384

IUPAC5-(4-methoxy-2-methylphenyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3nccc4[nH]ccc34)no2)c(C)c1
InChIInChI=1S/C17H14N4O2/c1-10-9-11(22-2)3-4-12(10)17-20-16(21-23-17)15-13-5-7-18-14(13)6-8-19-15/h3-9,18H,1-2H3
InChIKeyPDRYZCDNBIMGDY-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.60
Rot. Bonds3

About 5-(4-methoxy-2-methylphenyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole

5-(4-methoxy-2-methylphenyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole (PubChem CID 154756384) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-(4-methoxy-2-methylphenyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methoxy-2-methylphenyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
PubChem CID154756384
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name5-(4-methoxy-2-methylphenyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3nccc4[nH]ccc34)no2)c(C)c1
InChIInChI=1S/C17H14N4O2/c1-10-9-11(22-2)3-4-12(10)17-20-16(21-23-17)15-13-5-7-18-14(13)6-8-19-15/h3-9,18H,1-2H3
InChIKeyPDRYZCDNBIMGDY-UHFFFAOYSA-N
XLogP3.60
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-methoxy-2-methylphenyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(2,5-dimethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole
CID 11232865
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CID 138995276
2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-5-methoxyaniline
CID 137011816
3-(4-methoxy-2-methylphenyl)-1H-pyrazine-2-thione
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5-(3,3-dimethylcyclobutyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
CID 154801845
3-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide
CID 50779053
6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one
CID 939351
5-methoxy-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)aniline
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5-methoxy-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136914626
5-methoxy-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 136984514
5-(1H-indol-4-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole
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2-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2-methylphenyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methoxy-2-methylphenyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole (CID 154756384) is 5-(4-methoxy-2-methylphenyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methoxy-2-methylphenyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methoxy-2-methylphenyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3nccc4[nH]ccc34)no2)c(C)c1.
What is the InChIKey of 5-(4-methoxy-2-methylphenyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole?
The InChIKey is PDRYZCDNBIMGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-10-9-11(22-2)3-4-12(10)17-20-16(21-23-17)15-13-5-7-18-14(13)6-8-19-15/h3-9,18H,1-2H3.
What are the key properties of 5-(4-methoxy-2-methylphenyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole?
5-(4-methoxy-2-methylphenyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole has a molecular weight of 306.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2-methylphenyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 154756384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).