N,N-dimethyl-4-[6-(1,3,4-oxadiazol-2-yl)-5-propylpyrazin-2-yl]-3-(1,3-oxazol-5-yl)benzamide

C21H20N6O3 — CID 70883145

IUPACN,N-dimethyl-4-[6-(1,3,4-oxadiazol-2-yl)-5-propylpyrazin-2-yl]-3-(1,3-oxazol-5-yl)benzamide
SMILESCCCc1ncc(-c2ccc(C(=O)N(C)C)cc2-c2cnco2)nc1-c1nnco1
InChIInChI=1S/C21H20N6O3/c1-4-5-16-19(20-26-24-12-30-20)25-17(9-23-16)14-7-6-13(21(28)27(2)3)8-15(14)18-10-22-11-29-18/h6-12H,4-5H2,1-3H3
InChIKeyNUFYIFJQWLWDLQ-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.50
Rot. Bonds6

About N,N-dimethyl-4-[6-(1,3,4-oxadiazol-2-yl)-5-propylpyrazin-2-yl]-3-(1,3-oxazol-5-yl)benzamide

N,N-dimethyl-4-[6-(1,3,4-oxadiazol-2-yl)-5-propylpyrazin-2-yl]-3-(1,3-oxazol-5-yl)benzamide (PubChem CID 70883145) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[6-(1,3,4-oxadiazol-2-yl)-5-propylpyrazin-2-yl]-3-(1,3-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[6-(1,3,4-oxadiazol-2-yl)-5-propylpyrazin-2-yl]-3-(1,3-oxazol-5-yl)benzamide
PubChem CID70883145
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC NameN,N-dimethyl-4-[6-(1,3,4-oxadiazol-2-yl)-5-propylpyrazin-2-yl]-3-(1,3-oxazol-5-yl)benzamide
SMILESCCCc1ncc(-c2ccc(C(=O)N(C)C)cc2-c2cnco2)nc1-c1nnco1
InChIInChI=1S/C21H20N6O3/c1-4-5-16-19(20-26-24-12-30-20)25-17(9-23-16)14-7-6-13(21(28)27(2)3)8-15(14)18-10-22-11-29-18/h6-12H,4-5H2,1-3H3
InChIKeyNUFYIFJQWLWDLQ-UHFFFAOYSA-N
XLogP3.50
TPSA111.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[6-(1,3,4-oxadiazol-2-yl)-5-propylpyrazin-2-yl]-3-(1,3-oxazol-5-yl)benzamide?
The IUPAC name of N,N-dimethyl-4-[6-(1,3,4-oxadiazol-2-yl)-5-propylpyrazin-2-yl]-3-(1,3-oxazol-5-yl)benzamide (CID 70883145) is N,N-dimethyl-4-[6-(1,3,4-oxadiazol-2-yl)-5-propylpyrazin-2-yl]-3-(1,3-oxazol-5-yl)benzamide.
What is the SMILES notation for N,N-dimethyl-4-[6-(1,3,4-oxadiazol-2-yl)-5-propylpyrazin-2-yl]-3-(1,3-oxazol-5-yl)benzamide?
The canonical SMILES for N,N-dimethyl-4-[6-(1,3,4-oxadiazol-2-yl)-5-propylpyrazin-2-yl]-3-(1,3-oxazol-5-yl)benzamide is CCCc1ncc(-c2ccc(C(=O)N(C)C)cc2-c2cnco2)nc1-c1nnco1.
What is the InChIKey of N,N-dimethyl-4-[6-(1,3,4-oxadiazol-2-yl)-5-propylpyrazin-2-yl]-3-(1,3-oxazol-5-yl)benzamide?
The InChIKey is NUFYIFJQWLWDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-4-5-16-19(20-26-24-12-30-20)25-17(9-23-16)14-7-6-13(21(28)27(2)3)8-15(14)18-10-22-11-29-18/h6-12H,4-5H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[6-(1,3,4-oxadiazol-2-yl)-5-propylpyrazin-2-yl]-3-(1,3-oxazol-5-yl)benzamide?
N,N-dimethyl-4-[6-(1,3,4-oxadiazol-2-yl)-5-propylpyrazin-2-yl]-3-(1,3-oxazol-5-yl)benzamide has a molecular weight of 404.43 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[6-(1,3,4-oxadiazol-2-yl)-5-propylpyrazin-2-yl]-3-(1,3-oxazol-5-yl)benzamide is sourced from PubChem (CID 70883145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).