N-methyl-N-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide

C18H16N6O2 — CID 10383110

IUPACN-methyl-N-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
SMILESCC(=O)N(C)c1cccc(-c2ccnc3c(-c4noc(C)n4)cnn23)c1
InChIInChI=1S/C18H16N6O2/c1-11-21-17(22-26-11)15-10-20-24-16(7-8-19-18(15)24)13-5-4-6-14(9-13)23(3)12(2)25/h4-10H,1-3H3
InChIKeyCYUJXDABLLWBLW-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.74
Rot. Bonds3

About N-methyl-N-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide

N-methyl-N-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide (PubChem CID 10383110) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-methyl-N-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
PubChem CID10383110
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC NameN-methyl-N-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
SMILESCC(=O)N(C)c1cccc(-c2ccnc3c(-c4noc(C)n4)cnn23)c1
InChIInChI=1S/C18H16N6O2/c1-11-21-17(22-26-11)15-10-20-24-16(7-8-19-18(15)24)13-5-4-6-14(9-13)23(3)12(2)25/h4-10H,1-3H3
InChIKeyCYUJXDABLLWBLW-UHFFFAOYSA-N
XLogP2.74
TPSA89.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?
The IUPAC name of N-methyl-N-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide (CID 10383110) is N-methyl-N-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?
The canonical SMILES for N-methyl-N-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide is CC(=O)N(C)c1cccc(-c2ccnc3c(-c4noc(C)n4)cnn23)c1.
What is the InChIKey of N-methyl-N-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?
The InChIKey is CYUJXDABLLWBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-11-21-17(22-26-11)15-10-20-24-16(7-8-19-18(15)24)13-5-4-6-14(9-13)23(3)12(2)25/h4-10H,1-3H3.
What are the key properties of N-methyl-N-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?
N-methyl-N-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide has a molecular weight of 348.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide is sourced from PubChem (CID 10383110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).