4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione

C20H22N4O3 — CID 91809764

IUPAC4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
SMILESCCc1nc(-c2c3n(c(=O)n(Cc4cccc(C)c4)c2=O)CCCC3)no1
InChIInChI=1S/C20H22N4O3/c1-3-16-21-18(22-27-16)17-15-9-4-5-10-23(15)20(26)24(19(17)25)12-14-8-6-7-13(2)11-14/h6-8,11H,3-5,9-10,12H2,1-2H3
InChIKeySBQSPXMUIHUBAK-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.32
Rot. Bonds4

About 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione

4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 91809764) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID91809764
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
SMILESCCc1nc(-c2c3n(c(=O)n(Cc4cccc(C)c4)c2=O)CCCC3)no1
InChIInChI=1S/C20H22N4O3/c1-3-16-21-18(22-27-16)17-15-9-4-5-10-23(15)20(26)24(19(17)25)12-14-8-6-7-13(2)11-14/h6-8,11H,3-5,9-10,12H2,1-2H3
InChIKeySBQSPXMUIHUBAK-UHFFFAOYSA-N
XLogP2.32
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione (CID 91809764) is 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione is CCc1nc(-c2c3n(c(=O)n(Cc4cccc(C)c4)c2=O)CCCC3)no1.
What is the InChIKey of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is SBQSPXMUIHUBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-3-16-21-18(22-27-16)17-15-9-4-5-10-23(15)20(26)24(19(17)25)12-14-8-6-7-13(2)11-14/h6-8,11H,3-5,9-10,12H2,1-2H3.
What are the key properties of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione?
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 366.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 91809764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).