5-(3-methoxyphenyl)-7-(4-methylpiperidin-1-yl)-2-phenyl-[1,3]oxazolo[4,5-d]pyrimidine

C24H24N4O2 — CID 52904755

IUPAC5-(3-methoxyphenyl)-7-(4-methylpiperidin-1-yl)-2-phenyl-[1,3]oxazolo[4,5-d]pyrimidine
SMILESCOc1cccc(-c2nc(N3CCC(C)CC3)c3oc(-c4ccccc4)nc3n2)c1
InChIInChI=1S/C24H24N4O2/c1-16-11-13-28(14-12-16)23-20-22(27-24(30-20)17-7-4-3-5-8-17)25-21(26-23)18-9-6-10-19(15-18)29-2/h3-10,15-16H,11-14H2,1-2H3
InChIKeyPWQVJOWVYHLDBT-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.20
Rot. Bonds4

About 5-(3-methoxyphenyl)-7-(4-methylpiperidin-1-yl)-2-phenyl-[1,3]oxazolo[4,5-d]pyrimidine

5-(3-methoxyphenyl)-7-(4-methylpiperidin-1-yl)-2-phenyl-[1,3]oxazolo[4,5-d]pyrimidine (PubChem CID 52904755) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-7-(4-methylpiperidin-1-yl)-2-phenyl-[1,3]oxazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-7-(4-methylpiperidin-1-yl)-2-phenyl-[1,3]oxazolo[4,5-d]pyrimidine
PubChem CID52904755
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name5-(3-methoxyphenyl)-7-(4-methylpiperidin-1-yl)-2-phenyl-[1,3]oxazolo[4,5-d]pyrimidine
SMILESCOc1cccc(-c2nc(N3CCC(C)CC3)c3oc(-c4ccccc4)nc3n2)c1
InChIInChI=1S/C24H24N4O2/c1-16-11-13-28(14-12-16)23-20-22(27-24(30-20)17-7-4-3-5-8-17)25-21(26-23)18-9-6-10-19(15-18)29-2/h3-10,15-16H,11-14H2,1-2H3
InChIKeyPWQVJOWVYHLDBT-UHFFFAOYSA-N
XLogP5.20
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(3-methoxyphenyl)-7-(4-methylpiperidin-1-yl)-2-phenyl-[1,3]oxazolo[4,5-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-7-(4-methylpiperidin-1-yl)-2-phenyl-[1,3]oxazolo[4,5-d]pyrimidine?
The IUPAC name of 5-(3-methoxyphenyl)-7-(4-methylpiperidin-1-yl)-2-phenyl-[1,3]oxazolo[4,5-d]pyrimidine (CID 52904755) is 5-(3-methoxyphenyl)-7-(4-methylpiperidin-1-yl)-2-phenyl-[1,3]oxazolo[4,5-d]pyrimidine.
What is the SMILES notation for 5-(3-methoxyphenyl)-7-(4-methylpiperidin-1-yl)-2-phenyl-[1,3]oxazolo[4,5-d]pyrimidine?
The canonical SMILES for 5-(3-methoxyphenyl)-7-(4-methylpiperidin-1-yl)-2-phenyl-[1,3]oxazolo[4,5-d]pyrimidine is COc1cccc(-c2nc(N3CCC(C)CC3)c3oc(-c4ccccc4)nc3n2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-7-(4-methylpiperidin-1-yl)-2-phenyl-[1,3]oxazolo[4,5-d]pyrimidine?
The InChIKey is PWQVJOWVYHLDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16-11-13-28(14-12-16)23-20-22(27-24(30-20)17-7-4-3-5-8-17)25-21(26-23)18-9-6-10-19(15-18)29-2/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 5-(3-methoxyphenyl)-7-(4-methylpiperidin-1-yl)-2-phenyl-[1,3]oxazolo[4,5-d]pyrimidine?
5-(3-methoxyphenyl)-7-(4-methylpiperidin-1-yl)-2-phenyl-[1,3]oxazolo[4,5-d]pyrimidine has a molecular weight of 400.48 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-7-(4-methylpiperidin-1-yl)-2-phenyl-[1,3]oxazolo[4,5-d]pyrimidine is sourced from PubChem (CID 52904755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).