5-methyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-3-carboxamide

C17H14N6O2S — CID 20597513

IUPAC5-methyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(CSc3ncnc4[nH]ncc34)c2)no1
InChIInChI=1S/C17H14N6O2S/c1-10-5-14(23-25-10)16(24)21-12-4-2-3-11(6-12)8-26-17-13-7-20-22-15(13)18-9-19-17/h2-7,9H,8H2,1H3,(H,21,24)(H,18,19,20,22)
InChIKeyYIFGZJUIHVCHNS-UHFFFAOYSA-N
MW366.41 g/mol
LogP3.19
Rot. Bonds5

About 5-methyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 20597513) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is 5-methyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID20597513
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC Name5-methyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(CSc3ncnc4[nH]ncc34)c2)no1
InChIInChI=1S/C17H14N6O2S/c1-10-5-14(23-25-10)16(24)21-12-4-2-3-11(6-12)8-26-17-13-7-20-22-15(13)18-9-19-17/h2-7,9H,8H2,1H3,(H,21,24)(H,18,19,20,22)
InChIKeyYIFGZJUIHVCHNS-UHFFFAOYSA-N
XLogP3.19
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}sulfanyl)acetamide
CID 1173303
5-cyclopropyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide
CID 25593253
N-{2-[4-(4-benzylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-5-methyl-1,2-oxazole-3-carboxamide
CID 27478847
5-methyl-N-{2-[4-(4-phenylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-1,2-oxazole-3-carboxamide
CID 27478854
N-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 132390346
N-[4-methyl-3-(trifluoromethyl)phenyl]-3-[(1H-pyrazolo[3,4-d]pyrimidine-4-carbonylamino)methyl]-1,2-oxazole-5-carboxamide
CID 57538153
5-[[1-(4-Fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-3-methyl-1,2-oxazole
CID 16603803
2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 24604354
3-[[1-(4-Fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-5-methyl-1,2-oxazole
CID 25747679
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide
CID 45855832
2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 133894692
N-(2-benzylpyrazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 8850895

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 20597513) is 5-methyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(CSc3ncnc4[nH]ncc34)c2)no1.
What is the InChIKey of 5-methyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is YIFGZJUIHVCHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-10-5-14(23-25-10)16(24)21-12-4-2-3-11(6-12)8-26-17-13-7-20-22-15(13)18-9-19-17/h2-7,9H,8H2,1H3,(H,21,24)(H,18,19,20,22).
What are the key properties of 5-methyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 366.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 20597513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).