1-cyclopropyl-5-[5-[3-[(dimethylamino)methyl]-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione

C18H18FN5O3 — CID 166314333

IUPAC1-cyclopropyl-5-[5-[3-[(dimethylamino)methyl]-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione
SMILESCN(C)Cc1cc(-c2nc(-c3cn(C4CC4)c(=O)[nH]c3=O)no2)ccc1F
InChIInChI=1S/C18H18FN5O3/c1-23(2)8-11-7-10(3-6-14(11)19)17-20-15(22-27-17)13-9-24(12-4-5-12)18(26)21-16(13)25/h3,6-7,9,12H,4-5,8H2,1-2H3,(H,21,25,26)
InChIKeyVWJNPBHGKULCBZ-UHFFFAOYSA-N
MW371.37 g/mol
LogP1.79
Rot. Bonds5

About 1-cyclopropyl-5-[5-[3-[(dimethylamino)methyl]-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione

1-cyclopropyl-5-[5-[3-[(dimethylamino)methyl]-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione (PubChem CID 166314333) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is 1-cyclopropyl-5-[5-[3-[(dimethylamino)methyl]-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopropyl-5-[5-[3-[(dimethylamino)methyl]-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione
PubChem CID166314333
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name1-cyclopropyl-5-[5-[3-[(dimethylamino)methyl]-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione
SMILESCN(C)Cc1cc(-c2nc(-c3cn(C4CC4)c(=O)[nH]c3=O)no2)ccc1F
InChIInChI=1S/C18H18FN5O3/c1-23(2)8-11-7-10(3-6-14(11)19)17-20-15(22-27-17)13-9-24(12-4-5-12)18(26)21-16(13)25/h3,6-7,9,12H,4-5,8H2,1-2H3,(H,21,25,26)
InChIKeyVWJNPBHGKULCBZ-UHFFFAOYSA-N
XLogP1.79
TPSA97.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[5-[3-[(dimethylamino)methyl]-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-cyclopropyl-5-[5-[3-[(dimethylamino)methyl]-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione (CID 166314333) is 1-cyclopropyl-5-[5-[3-[(dimethylamino)methyl]-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclopropyl-5-[5-[3-[(dimethylamino)methyl]-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-cyclopropyl-5-[5-[3-[(dimethylamino)methyl]-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione is CN(C)Cc1cc(-c2nc(-c3cn(C4CC4)c(=O)[nH]c3=O)no2)ccc1F.
What is the InChIKey of 1-cyclopropyl-5-[5-[3-[(dimethylamino)methyl]-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione?
The InChIKey is VWJNPBHGKULCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c1-23(2)8-11-7-10(3-6-14(11)19)17-20-15(22-27-17)13-9-24(12-4-5-12)18(26)21-16(13)25/h3,6-7,9,12H,4-5,8H2,1-2H3,(H,21,25,26).
What are the key properties of 1-cyclopropyl-5-[5-[3-[(dimethylamino)methyl]-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione?
1-cyclopropyl-5-[5-[3-[(dimethylamino)methyl]-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione has a molecular weight of 371.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[5-[3-[(dimethylamino)methyl]-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 166314333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).