5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one

C25H23N5O3 — CID 71802718

IUPAC5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1ncn2nc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C25H23N5O3/c1-16(2)32-20-11-9-19(10-12-20)24-27-22(17(3)33-24)14-29-25(31)23-13-21(28-30(23)15-26-29)18-7-5-4-6-8-18/h4-13,15-16H,14H2,1-3H3
InChIKeyUWFPCNLDZPEIOH-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.36
Rot. Bonds6

About 5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one

5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 71802718) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID71802718
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1ncn2nc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C25H23N5O3/c1-16(2)32-20-11-9-19(10-12-20)24-27-22(17(3)33-24)14-29-25(31)23-13-21(28-30(23)15-26-29)18-7-5-4-6-8-18/h4-13,15-16H,14H2,1-3H3
InChIKeyUWFPCNLDZPEIOH-UHFFFAOYSA-N
XLogP4.36
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one (CID 71802718) is 5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one is Cc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1ncn2nc(-c3ccccc3)cc2c1=O.
What is the InChIKey of 5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is UWFPCNLDZPEIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-16(2)32-20-11-9-19(10-12-20)24-27-22(17(3)33-24)14-29-25(31)23-13-21(28-30(23)15-26-29)18-7-5-4-6-8-18/h4-13,15-16H,14H2,1-3H3.
What are the key properties of 5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one?
5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 441.49 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 71802718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).