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

C15H18N6O3 — CID 3240788

IUPAC2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)no1
InChIInChI=1S/C15H18N6O3/c1-9-5-11(19-24-9)18-12(22)7-20-8-16-13-10(14(20)23)6-17-21(13)15(2,3)4/h5-6,8H,7H2,1-4H3,(H,18,19,22)
InChIKeyIBEFWSYZXBSZOQ-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.28
Rot. Bonds3

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

2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 3240788) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID3240788
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Name2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)no1
InChIInChI=1S/C15H18N6O3/c1-9-5-11(19-24-9)18-12(22)7-20-8-16-13-10(14(20)23)6-17-21(13)15(2,3)4/h5-6,8H,7H2,1-4H3,(H,18,19,22)
InChIKeyIBEFWSYZXBSZOQ-UHFFFAOYSA-N
XLogP1.28
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 3240788) is 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)no1.
What is the InChIKey of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is IBEFWSYZXBSZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-9-5-11(19-24-9)18-12(22)7-20-8-16-13-10(14(20)23)6-17-21(13)15(2,3)4/h5-6,8H,7H2,1-4H3,(H,18,19,22).
What are the key properties of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 330.35 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 3240788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).