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

C19H19FN4O3 — CID 91809773

IUPAC4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
SMILESCCc1nc(-c2c3n(c(=O)n(Cc4cccc(F)c4)c2=O)CCCC3)no1
InChIInChI=1S/C19H19FN4O3/c1-2-15-21-17(22-27-15)16-14-8-3-4-9-23(14)19(26)24(18(16)25)11-12-6-5-7-13(20)10-12/h5-7,10H,2-4,8-9,11H2,1H3
InChIKeyXVOSOLFZOVQLIW-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.15
Rot. Bonds4

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

4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 91809773) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-fluorophenyl)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-fluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID91809773
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
SMILESCCc1nc(-c2c3n(c(=O)n(Cc4cccc(F)c4)c2=O)CCCC3)no1
InChIInChI=1S/C19H19FN4O3/c1-2-15-21-17(22-27-15)16-14-8-3-4-9-23(14)19(26)24(18(16)25)11-12-6-5-7-13(20)10-12/h5-7,10H,2-4,8-9,11H2,1H3
InChIKeyXVOSOLFZOVQLIW-UHFFFAOYSA-N
XLogP2.15
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
N-(2,4-difluorophenyl)-2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-2-yl]acetamide
CID 91810149
2-benzyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-1,3-dione
CID 91890519
2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-2-yl]acetamide
CID 91917342
2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 91890504
N-(2,3-dimethylphenyl)-2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]acetamide
CID 91890512
N-cyclopentyl-2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-2-yl]acetamide
CID 91809912
N-cyclohexyl-2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-2-yl]acetamide
CID 91809995
2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]-N-phenylacetamide
CID 91809820
3-(4-ethylphenyl)-1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
CID 22429206
N-(3-chlorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-2-yl]acetamide
CID 91810076
5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769361

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-fluorophenyl)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-fluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione (CID 91809773) is 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-fluorophenyl)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-fluorophenyl)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-fluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione is CCc1nc(-c2c3n(c(=O)n(Cc4cccc(F)c4)c2=O)CCCC3)no1.
What is the InChIKey of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is XVOSOLFZOVQLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-2-15-21-17(22-27-15)16-14-8-3-4-9-23(14)19(26)24(18(16)25)11-12-6-5-7-13(20)10-12/h5-7,10H,2-4,8-9,11H2,1H3.
What are the key properties of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione?
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 370.38 g/mol, XLogP of 2.15, 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-fluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 91809773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).