[4-(3-hydroxyphenyl)piperazin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone

C25H24N4O3 — CID 112810061

IUPAC[4-(3-hydroxyphenyl)piperazin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(c4cccc(O)c4)CC3)c3c(C)noc3n2)cc1
InChIInChI=1S/C25H24N4O3/c1-16-6-8-18(9-7-16)22-15-21(23-17(2)27-32-24(23)26-22)25(31)29-12-10-28(11-13-29)19-4-3-5-20(30)14-19/h3-9,14-15,30H,10-13H2,1-2H3
InChIKeyNZBFBDIOWJFJHS-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.17
Rot. Bonds3

About [4-(3-hydroxyphenyl)piperazin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone

[4-(3-hydroxyphenyl)piperazin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone (PubChem CID 112810061) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is [4-(3-hydroxyphenyl)piperazin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-hydroxyphenyl)piperazin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
PubChem CID112810061
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name[4-(3-hydroxyphenyl)piperazin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(c4cccc(O)c4)CC3)c3c(C)noc3n2)cc1
InChIInChI=1S/C25H24N4O3/c1-16-6-8-18(9-7-16)22-15-21(23-17(2)27-32-24(23)26-22)25(31)29-12-10-28(11-13-29)19-4-3-5-20(30)14-19/h3-9,14-15,30H,10-13H2,1-2H3
InChIKeyNZBFBDIOWJFJHS-UHFFFAOYSA-N
XLogP4.17
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(3-hydroxyphenyl)piperazin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The IUPAC name of [4-(3-hydroxyphenyl)piperazin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone (CID 112810061) is [4-(3-hydroxyphenyl)piperazin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for [4-(3-hydroxyphenyl)piperazin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The canonical SMILES for [4-(3-hydroxyphenyl)piperazin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc(O)c4)CC3)c3c(C)noc3n2)cc1.
What is the InChIKey of [4-(3-hydroxyphenyl)piperazin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The InChIKey is NZBFBDIOWJFJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-16-6-8-18(9-7-16)22-15-21(23-17(2)27-32-24(23)26-22)25(31)29-12-10-28(11-13-29)19-4-3-5-20(30)14-19/h3-9,14-15,30H,10-13H2,1-2H3.
What are the key properties of [4-(3-hydroxyphenyl)piperazin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
[4-(3-hydroxyphenyl)piperazin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone has a molecular weight of 428.49 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-hydroxyphenyl)piperazin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 112810061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).