2-[(3-tert-butyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C17H19N5O4 — CID 167777255

IUPAC2-[(3-tert-butyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCN(Cc1conc1C(C)(C)C)C(=O)c1cc2ncc(C(=O)O)cn2n1
InChIInChI=1S/C17H19N5O4/c1-17(2,3)14-11(9-26-20-14)7-21(4)15(23)12-5-13-18-6-10(16(24)25)8-22(13)19-12/h5-6,8-9H,7H2,1-4H3,(H,24,25)
InChIKeyQXCMHQFZKYESGD-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.99
Rot. Bonds4

About 2-[(3-tert-butyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-[(3-tert-butyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 167777255) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID167777255
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name2-[(3-tert-butyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCN(Cc1conc1C(C)(C)C)C(=O)c1cc2ncc(C(=O)O)cn2n1
InChIInChI=1S/C17H19N5O4/c1-17(2,3)14-11(9-26-20-14)7-21(4)15(23)12-5-13-18-6-10(16(24)25)8-22(13)19-12/h5-6,8-9H,7H2,1-4H3,(H,24,25)
InChIKeyQXCMHQFZKYESGD-UHFFFAOYSA-N
XLogP1.99
TPSA113.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-[(3-tert-butyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 167777255) is 2-[(3-tert-butyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-[(3-tert-butyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-[(3-tert-butyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is CN(Cc1conc1C(C)(C)C)C(=O)c1cc2ncc(C(=O)O)cn2n1.
What is the InChIKey of 2-[(3-tert-butyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is QXCMHQFZKYESGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-17(2,3)14-11(9-26-20-14)7-21(4)15(23)12-5-13-18-6-10(16(24)25)8-22(13)19-12/h5-6,8-9H,7H2,1-4H3,(H,24,25).
What are the key properties of 2-[(3-tert-butyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-[(3-tert-butyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 357.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 167777255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).