N-(2-methyl-1,3-benzoxazol-5-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

C16H14N6O3 — CID 17457815

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCc1nc2cc(NC(=O)Cn3cnc4c(cnn4C)c3=O)ccc2o1
InChIInChI=1S/C16H14N6O3/c1-9-19-12-5-10(3-4-13(12)25-9)20-14(23)7-22-8-17-15-11(16(22)24)6-18-21(15)2/h3-6,8H,7H2,1-2H3,(H,20,23)
InChIKeyNFBORCOCDMJXNI-UHFFFAOYSA-N
MW338.33 g/mol
LogP1.22
Rot. Bonds3

About N-(2-methyl-1,3-benzoxazol-5-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

N-(2-methyl-1,3-benzoxazol-5-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 17457815) has the molecular formula C16H14N6O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID17457815
Molecular FormulaC16H14N6O3
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCc1nc2cc(NC(=O)Cn3cnc4c(cnn4C)c3=O)ccc2o1
InChIInChI=1S/C16H14N6O3/c1-9-19-12-5-10(3-4-13(12)25-9)20-14(23)7-22-8-17-15-11(16(22)24)6-18-21(15)2/h3-6,8H,7H2,1-2H3,(H,20,23)
InChIKeyNFBORCOCDMJXNI-UHFFFAOYSA-N
XLogP1.22
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 17457815) is N-(2-methyl-1,3-benzoxazol-5-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is Cc1nc2cc(NC(=O)Cn3cnc4c(cnn4C)c3=O)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is NFBORCOCDMJXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O3/c1-9-19-12-5-10(3-4-13(12)25-9)20-14(23)7-22-8-17-15-11(16(22)24)6-18-21(15)2/h3-6,8H,7H2,1-2H3,(H,20,23).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 338.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 17457815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).