N-[[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide

C18H17FN6O5 — CID 155524016

IUPACN-[[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1nnc(C(=O)NCc2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1
InChIInChI=1S/C18H17FN6O5/c1-9-23-24-17(30-9)16(28)21-8-12-22-13(14(26)18(29)25(12)2)15(27)20-7-10-3-5-11(19)6-4-10/h3-6,26H,7-8H2,1-2H3,(H,20,27)(H,21,28)
InChIKeyGHBNIGJAQQCLKU-UHFFFAOYSA-N
MW416.37 g/mol
LogP0.18
Rot. Bonds6

About N-[[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide

N-[[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 155524016) has the molecular formula C18H17FN6O5 and a molecular weight of 416.37 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID155524016
Molecular FormulaC18H17FN6O5
Molecular Weight416.37 g/mol
Exact Mass416.12
IUPAC NameN-[[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1nnc(C(=O)NCc2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1
InChIInChI=1S/C18H17FN6O5/c1-9-23-24-17(30-9)16(28)21-8-12-22-13(14(26)18(29)25(12)2)15(27)20-7-10-3-5-11(19)6-4-10/h3-6,26H,7-8H2,1-2H3,(H,20,27)(H,21,28)
InChIKeyGHBNIGJAQQCLKU-UHFFFAOYSA-N
XLogP0.18
TPSA152.24 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.37
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide with MolForge

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Related Compounds

potassium;N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide;4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxopyrimidin-5-olate
CID 158098232
N-[1,1,1,3,3,3-hexadeuterio-2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-5-(trideuteriomethyl)-1,3,4-oxadiazole-2-carboxamide
CID 54749256
potassium N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-5,6-dioxopyrimidin-2-id-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 121493846
2-cyclopentyl-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 146000243
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-6-oxopyrimidine-4-carboxamide
CID 54712036
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-oxopyrimidine-4-carboxamide
CID 54712021
2-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 54680245
cyclopropylmethyl 1-[4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxopyrimidin-5-yl]oxyethyl carbonate
CID 72948777
N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
CID 54680789
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[(2S)-5-methylpyrrolidin-2-yl]-6-oxopyrimidine-4-carboxamide
CID 54677637
2-(2-aminopropan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide;N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[2-(methylamino)propan-2-yl]-6-oxopyrimidine-4-carboxamide;methane
CID 158326909
2-(2-benzamidopropan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 122610194

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide (CID 155524016) is N-[[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide is Cc1nnc(C(=O)NCc2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1.
What is the InChIKey of N-[[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is GHBNIGJAQQCLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O5/c1-9-23-24-17(30-9)16(28)21-8-12-22-13(14(26)18(29)25(12)2)15(27)20-7-10-3-5-11(19)6-4-10/h3-6,26H,7-8H2,1-2H3,(H,20,27)(H,21,28).
What are the key properties of N-[[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?
N-[[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 416.37 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 155524016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).