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

C18H16N4O4 — CID 24600957

IUPAC1-ethyl-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCCn1cc(C#N)c(=O)n(Cc2cc(-c3ccccc3OC)no2)c1=O
InChIInChI=1S/C18H16N4O4/c1-3-21-10-12(9-19)17(23)22(18(21)24)11-13-8-15(20-26-13)14-6-4-5-7-16(14)25-2/h4-8,10H,3,11H2,1-2H3
InChIKeyDSVXJPBMTFMNES-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.61
Rot. Bonds5

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

1-ethyl-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 24600957) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 1-ethyl-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID24600957
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name1-ethyl-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCCn1cc(C#N)c(=O)n(Cc2cc(-c3ccccc3OC)no2)c1=O
InChIInChI=1S/C18H16N4O4/c1-3-21-10-12(9-19)17(23)22(18(21)24)11-13-8-15(20-26-13)14-6-4-5-7-16(14)25-2/h4-8,10H,3,11H2,1-2H3
InChIKeyDSVXJPBMTFMNES-UHFFFAOYSA-N
XLogP1.61
TPSA103.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-ethyl-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 39536966
1-ethyl-3-[(2-methoxy-5-nitrophenyl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 24619101
1-ethyl-3-[2-(2-methylphenoxy)ethyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 17457547
1-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-phenyl-3-(2,2,2-trifluoroacetyl)quinolin-2-one
CID 139235178
5-(4-fluorophenyl)-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 24585145
1-ethyl-3-[2-(2-nitrophenoxy)ethyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 60517415
N-(5-chloro-2-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 33399213
N-(3-chloro-4-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 33398940
1-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 24853480
3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-one
CID 24584990
3-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile
CID 25347872
3-(2-methoxyphenyl)-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2-oxazole
CID 36651321

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-ethyl-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile (CID 24600957) is 1-ethyl-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-ethyl-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-ethyl-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile is CCn1cc(C#N)c(=O)n(Cc2cc(-c3ccccc3OC)no2)c1=O.
What is the InChIKey of 1-ethyl-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is DSVXJPBMTFMNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-3-21-10-12(9-19)17(23)22(18(21)24)11-13-8-15(20-26-13)14-6-4-5-7-16(14)25-2/h4-8,10H,3,11H2,1-2H3.
What are the key properties of 1-ethyl-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile?
1-ethyl-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 352.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 24600957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).