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

C17H17ClN4O — CID 20873333

IUPAC3-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCC1CCCCN1c1ncnc2onc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C17H17ClN4O/c1-11-4-2-3-9-22(11)16-14-15(12-5-7-13(18)8-6-12)21-23-17(14)20-10-19-16/h5-8,10-11H,2-4,9H2,1H3
InChIKeySAMSNURCIVLGTP-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.32
Rot. Bonds2

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

3-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 20873333) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID20873333
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name3-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCC1CCCCN1c1ncnc2onc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C17H17ClN4O/c1-11-4-2-3-9-22(11)16-14-15(12-5-7-13(18)8-6-12)21-23-17(14)20-10-19-16/h5-8,10-11H,2-4,9H2,1H3
InChIKeySAMSNURCIVLGTP-UHFFFAOYSA-N
XLogP4.32
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 3-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine (CID 20873333) is 3-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 3-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine is CC1CCCCN1c1ncnc2onc(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 3-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is SAMSNURCIVLGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-11-4-2-3-9-22(11)16-14-15(12-5-7-13(18)8-6-12)21-23-17(14)20-10-19-16/h5-8,10-11H,2-4,9H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
3-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 328.80 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 20873333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).