1-cyclopropyl-3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile

C18H13FN4O3 — CID 47044695

IUPAC1-cyclopropyl-3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESN#Cc1cn(C2CC2)c(=O)n(Cc2coc(-c3cccc(F)c3)n2)c1=O
InChIInChI=1S/C18H13FN4O3/c19-13-3-1-2-11(6-13)16-21-14(10-26-16)9-23-17(24)12(7-20)8-22(18(23)25)15-4-5-15/h1-3,6,8,10,15H,4-5,9H2
InChIKeyDSGNKXRYKGRAGB-UHFFFAOYSA-N
MW352.33 g/mol
LogP2.06
Rot. Bonds4

About 1-cyclopropyl-3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile

1-cyclopropyl-3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 47044695) has the molecular formula C18H13FN4O3 and a molecular weight of 352.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID47044695
Molecular FormulaC18H13FN4O3
Molecular Weight352.33 g/mol
Exact Mass352.10
IUPAC Name1-cyclopropyl-3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESN#Cc1cn(C2CC2)c(=O)n(Cc2coc(-c3cccc(F)c3)n2)c1=O
InChIInChI=1S/C18H13FN4O3/c19-13-3-1-2-11(6-13)16-21-14(10-26-16)9-23-17(24)12(7-20)8-22(18(23)25)15-4-5-15/h1-3,6,8,10,15H,4-5,9H2
InChIKeyDSGNKXRYKGRAGB-UHFFFAOYSA-N
XLogP2.06
TPSA93.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-cyclopropyl-3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile (CID 47044695) is 1-cyclopropyl-3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-cyclopropyl-3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile is N#Cc1cn(C2CC2)c(=O)n(Cc2coc(-c3cccc(F)c3)n2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is DSGNKXRYKGRAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O3/c19-13-3-1-2-11(6-13)16-21-14(10-26-16)9-23-17(24)12(7-20)8-22(18(23)25)15-4-5-15/h1-3,6,8,10,15H,4-5,9H2.
What are the key properties of 1-cyclopropyl-3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile?
1-cyclopropyl-3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 352.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 47044695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).