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

C19H16N4O4 — CID 36992730

IUPAC1-cyclopropyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCOc1ccc(-c2nc(Cn3c(=O)c(C#N)cn(C4CC4)c3=O)co2)cc1
InChIInChI=1S/C19H16N4O4/c1-26-16-6-2-12(3-7-16)17-21-14(11-27-17)10-23-18(24)13(8-20)9-22(19(23)25)15-4-5-15/h2-3,6-7,9,11,15H,4-5,10H2,1H3
InChIKeyPEEYFDKCQYXASU-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.93
Rot. Bonds5

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

1-cyclopropyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 36992730) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID36992730
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name1-cyclopropyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCOc1ccc(-c2nc(Cn3c(=O)c(C#N)cn(C4CC4)c3=O)co2)cc1
InChIInChI=1S/C19H16N4O4/c1-26-16-6-2-12(3-7-16)17-21-14(11-27-17)10-23-18(24)13(8-20)9-22(19(23)25)15-4-5-15/h2-3,6-7,9,11,15H,4-5,10H2,1H3
InChIKeyPEEYFDKCQYXASU-UHFFFAOYSA-N
XLogP1.93
TPSA103.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-cyclopropyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile (CID 36992730) is 1-cyclopropyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-cyclopropyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile is COc1ccc(-c2nc(Cn3c(=O)c(C#N)cn(C4CC4)c3=O)co2)cc1.
What is the InChIKey of 1-cyclopropyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is PEEYFDKCQYXASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-26-16-6-2-12(3-7-16)17-21-14(11-27-17)10-23-18(24)13(8-20)9-22(19(23)25)15-4-5-15/h2-3,6-7,9,11,15H,4-5,10H2,1H3.
What are the key properties of 1-cyclopropyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile?
1-cyclopropyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 364.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 36992730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).