N-ethyl-1-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide

C18H19N5O4 — CID 91769806

IUPACN-ethyl-1-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide
SMILESCCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C18H19N5O4/c1-4-23(17(25)13-9-22(3)18(26)20-16(13)24)10-14-19-15(21-27-14)12-7-5-11(2)6-8-12/h5-9H,4,10H2,1-3H3,(H,20,24,26)
InChIKeyNORMBIVTXSUAPA-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.09
Rot. Bonds5

About N-ethyl-1-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide

N-ethyl-1-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 91769806) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide
PubChem CID91769806
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC NameN-ethyl-1-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide
SMILESCCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C18H19N5O4/c1-4-23(17(25)13-9-22(3)18(26)20-16(13)24)10-14-19-15(21-27-14)12-7-5-11(2)6-8-12/h5-9H,4,10H2,1-3H3,(H,20,24,26)
InChIKeyNORMBIVTXSUAPA-UHFFFAOYSA-N
XLogP1.09
TPSA114.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-3,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8875273
N-ethyl-2,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-4-carboxamide
CID 131945720
N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 7708621
4-bromo-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835920
4-tert-butyl-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835712
2-chloro-N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzamide
CID 8874447
2-(aminomethyl)-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazole-4-carboxamide;hydrochloride
CID 154912011
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-(4-methylphenyl)acetamide
CID 8874831
N-ethyl-2-(4-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8836273
N-ethyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835940
1-ethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3R)-2-oxopyrrolidin-3-yl]urea
CID 125439363
1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea
CID 3164417

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-1-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide (CID 91769806) is N-ethyl-1-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide is CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of N-ethyl-1-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is NORMBIVTXSUAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-4-23(17(25)13-9-22(3)18(26)20-16(13)24)10-14-19-15(21-27-14)12-7-5-11(2)6-8-12/h5-9H,4,10H2,1-3H3,(H,20,24,26).
What are the key properties of N-ethyl-1-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide?
N-ethyl-1-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 91769806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).