N,N-dimethyl-4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide

C25H25N5O3 — CID 147068872

IUPACN,N-dimethyl-4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide
SMILESCc1ncc(-c2ccc(C(=O)N(C)C)cc2)nc1-c1nnc(-c2ccccc2OC(C)C)o1
InChIInChI=1S/C25H25N5O3/c1-15(2)32-21-9-7-6-8-19(21)23-28-29-24(33-23)22-16(3)26-14-20(27-22)17-10-12-18(13-11-17)25(31)30(4)5/h6-15H,1-5H3
InChIKeyBEQOGYPHCGNOGZ-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.66
Rot. Bonds6

About N,N-dimethyl-4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide

N,N-dimethyl-4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide (PubChem CID 147068872) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide
PubChem CID147068872
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC NameN,N-dimethyl-4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide
SMILESCc1ncc(-c2ccc(C(=O)N(C)C)cc2)nc1-c1nnc(-c2ccccc2OC(C)C)o1
InChIInChI=1S/C25H25N5O3/c1-15(2)32-21-9-7-6-8-19(21)23-28-29-24(33-23)22-16(3)26-14-20(27-22)17-10-12-18(13-11-17)25(31)30(4)5/h6-15H,1-5H3
InChIKeyBEQOGYPHCGNOGZ-UHFFFAOYSA-N
XLogP4.66
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide (CID 147068872) is N,N-dimethyl-4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide is Cc1ncc(-c2ccc(C(=O)N(C)C)cc2)nc1-c1nnc(-c2ccccc2OC(C)C)o1.
What is the InChIKey of N,N-dimethyl-4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide?
The InChIKey is BEQOGYPHCGNOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-15(2)32-21-9-7-6-8-19(21)23-28-29-24(33-23)22-16(3)26-14-20(27-22)17-10-12-18(13-11-17)25(31)30(4)5/h6-15H,1-5H3.
What are the key properties of N,N-dimethyl-4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide?
N,N-dimethyl-4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide has a molecular weight of 443.51 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 147068872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).