3,6-dimethyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one

C23H24N6O4 — CID 55683104

IUPAC3,6-dimethyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)N1CCN(C(C)c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C23H24N6O4/c1-14(20-25-19(26-33-20)16-7-5-4-6-8-16)28-9-11-29(12-10-28)23(31)17-15(2)32-21-18(17)22(30)27(3)13-24-21/h4-8,13-14H,9-12H2,1-3H3
InChIKeyFYQKSKTWHQLLNI-UHFFFAOYSA-N
MW448.48 g/mol
LogP2.40
Rot. Bonds4

About 3,6-dimethyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one

3,6-dimethyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one (PubChem CID 55683104) has the molecular formula C23H24N6O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is 3,6-dimethyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3,6-dimethyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one
PubChem CID55683104
Molecular FormulaC23H24N6O4
Molecular Weight448.48 g/mol
Exact Mass448.19
IUPAC Name3,6-dimethyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)N1CCN(C(C)c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C23H24N6O4/c1-14(20-25-19(26-33-20)16-7-5-4-6-8-16)28-9-11-29(12-10-28)23(31)17-15(2)32-21-18(17)22(30)27(3)13-24-21/h4-8,13-14H,9-12H2,1-3H3
InChIKeyFYQKSKTWHQLLNI-UHFFFAOYSA-N
XLogP2.40
TPSA110.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one?
The IUPAC name of 3,6-dimethyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one (CID 55683104) is 3,6-dimethyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3,6-dimethyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3,6-dimethyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one is Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCN(C(C)c2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of 3,6-dimethyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one?
The InChIKey is FYQKSKTWHQLLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4/c1-14(20-25-19(26-33-20)16-7-5-4-6-8-16)28-9-11-29(12-10-28)23(31)17-15(2)32-21-18(17)22(30)27(3)13-24-21/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of 3,6-dimethyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one?
3,6-dimethyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one has a molecular weight of 448.48 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 55683104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).