N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide

C17H14N6O2S — CID 1173303

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)no1
InChIInChI=1S/C17H14N6O2S/c1-11-7-14(22-25-11)21-15(24)9-26-17-13-8-20-23(16(13)18-10-19-17)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,21,22,24)
InChIKeyOHYWVAKXVLAQRM-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.84
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 1173303) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID1173303
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)no1
InChIInChI=1S/C17H14N6O2S/c1-11-7-14(22-25-11)21-15(24)9-26-17-13-8-20-23(16(13)18-10-19-17)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,21,22,24)
InChIKeyOHYWVAKXVLAQRM-UHFFFAOYSA-N
XLogP2.84
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (CID 1173303) is N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is Cc1cc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is OHYWVAKXVLAQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-11-7-14(22-25-11)21-15(24)9-26-17-13-8-20-23(16(13)18-10-19-17)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,21,22,24).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 366.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 1173303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).