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

C24H24N4O — CID 20956815

IUPAC5-(4-benzylpiperidin-1-yl)-7-methyl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CCC(Cc3ccccc3)CC2)nc2oc(-c3ccccc3)nc12
InChIInChI=1S/C24H24N4O/c1-17-21-23(29-22(26-21)20-10-6-3-7-11-20)27-24(25-17)28-14-12-19(13-15-28)16-18-8-4-2-5-9-18/h2-11,19H,12-16H2,1H3
InChIKeyAKEDMHKPPDYERE-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.05
Rot. Bonds4

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

5-(4-benzylpiperidin-1-yl)-7-methyl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine (PubChem CID 20956815) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-7-methyl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-7-methyl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine
PubChem CID20956815
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name5-(4-benzylpiperidin-1-yl)-7-methyl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CCC(Cc3ccccc3)CC2)nc2oc(-c3ccccc3)nc12
InChIInChI=1S/C24H24N4O/c1-17-21-23(29-22(26-21)20-10-6-3-7-11-20)27-24(25-17)28-14-12-19(13-15-28)16-18-8-4-2-5-9-18/h2-11,19H,12-16H2,1H3
InChIKeyAKEDMHKPPDYERE-UHFFFAOYSA-N
XLogP5.05
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-7-methyl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-7-methyl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine (CID 20956815) is 5-(4-benzylpiperidin-1-yl)-7-methyl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-7-methyl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-7-methyl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine is Cc1nc(N2CCC(Cc3ccccc3)CC2)nc2oc(-c3ccccc3)nc12.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-7-methyl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine?
The InChIKey is AKEDMHKPPDYERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-17-21-23(29-22(26-21)20-10-6-3-7-11-20)27-24(25-17)28-14-12-19(13-15-28)16-18-8-4-2-5-9-18/h2-11,19H,12-16H2,1H3.
What are the key properties of 5-(4-benzylpiperidin-1-yl)-7-methyl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine?
5-(4-benzylpiperidin-1-yl)-7-methyl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine has a molecular weight of 384.48 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)-7-methyl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 20956815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).