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3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide

C18H21N5O4 — CID 42569020

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOc1ccc(-c2noc(C(=O)NCCn3nc(C)cc3C)n2)cc1OC
InChIInChI=1S/C18H21N5O4/c1-11-9-12(2)23(21-11)8-7-19-17(24)18-20-16(22-27-18)13-5-6-14(25-3)15(10-13)26-4/h5-6,9-10H,7-8H2,1-4H3,(H,19,24)
InChIKeyVCYGZAIFEVWRDH-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.00
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide

3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42569020) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID42569020
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOc1ccc(-c2noc(C(=O)NCCn3nc(C)cc3C)n2)cc1OC
InChIInChI=1S/C18H21N5O4/c1-11-9-12(2)23(21-11)8-7-19-17(24)18-20-16(22-27-18)13-5-6-14(25-3)15(10-13)26-4/h5-6,9-10H,7-8H2,1-4H3,(H,19,24)
InChIKeyVCYGZAIFEVWRDH-UHFFFAOYSA-N
XLogP2.00
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide (CID 42569020) is 3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide is COc1ccc(-c2noc(C(=O)NCCn3nc(C)cc3C)n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is VCYGZAIFEVWRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-11-9-12(2)23(21-11)8-7-19-17(24)18-20-16(22-27-18)13-5-6-14(25-3)15(10-13)26-4/h5-6,9-10H,7-8H2,1-4H3,(H,19,24).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide?
3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42569020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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