1-ethyl-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

C16H15N5O2S — CID 99836538

IUPAC1-ethyl-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCn1ncc2c(=O)n(Cc3nc(-c4cccs4)oc3C)cnc21
InChIInChI=1S/C16H15N5O2S/c1-3-21-14-11(7-18-21)16(22)20(9-17-14)8-12-10(2)23-15(19-12)13-5-4-6-24-13/h4-7,9H,3,8H2,1-2H3
InChIKeyHOSYXHWCUDYFGF-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.69
Rot. Bonds4

About 1-ethyl-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

1-ethyl-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 99836538) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 1-ethyl-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-ethyl-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID99836538
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name1-ethyl-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCn1ncc2c(=O)n(Cc3nc(-c4cccs4)oc3C)cnc21
InChIInChI=1S/C16H15N5O2S/c1-3-21-14-11(7-18-21)16(22)20(9-17-14)8-12-10(2)23-15(19-12)13-5-4-6-24-13/h4-7,9H,3,8H2,1-2H3
InChIKeyHOSYXHWCUDYFGF-UHFFFAOYSA-N
XLogP2.69
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-ethyl-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

3-benzyl-7-(2-methylpropyl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]purine-2,6-dione
CID 112808566
3,4-dimethyl-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 46291372
4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
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1-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 39967056
1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3-propylbenzimidazol-2-one
CID 31522663
5,5-dimethyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 30295078
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CID 154890069
7-methyl-4-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]chromen-2-one
CID 17250966
2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 17477397
methyl 4-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxylate
CID 154765152
4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 23352157
(2R,6S)-2,6-dimethyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-ethyl-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 99836538) is 1-ethyl-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-ethyl-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-ethyl-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is CCn1ncc2c(=O)n(Cc3nc(-c4cccs4)oc3C)cnc21.
What is the InChIKey of 1-ethyl-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HOSYXHWCUDYFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-3-21-14-11(7-18-21)16(22)20(9-17-14)8-12-10(2)23-15(19-12)13-5-4-6-24-13/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 1-ethyl-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-ethyl-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 341.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 99836538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).