N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxopropan-2-yl]-6-oxopyrimidine-4-carboxamide

C20H20FN5O5 — CID 57340691

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxopropan-2-yl]-6-oxopyrimidine-4-carboxamide
SMILESCc1nnc(C(=O)C(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1
InChIInChI=1S/C20H20FN5O5/c1-10-24-25-17(31-10)15(28)20(2,3)19-23-13(14(27)18(30)26(19)4)16(29)22-9-11-5-7-12(21)8-6-11/h5-8,27H,9H2,1-4H3,(H,22,29)
InChIKeyROCQGNQMSKNGJU-UHFFFAOYSA-N
MW429.41 g/mol
LogP1.41
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxopropan-2-yl]-6-oxopyrimidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxopropan-2-yl]-6-oxopyrimidine-4-carboxamide (PubChem CID 57340691) has the molecular formula C20H20FN5O5 and a molecular weight of 429.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxopropan-2-yl]-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxopropan-2-yl]-6-oxopyrimidine-4-carboxamide
PubChem CID57340691
Molecular FormulaC20H20FN5O5
Molecular Weight429.41 g/mol
Exact Mass429.14
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxopropan-2-yl]-6-oxopyrimidine-4-carboxamide
SMILESCc1nnc(C(=O)C(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1
InChIInChI=1S/C20H20FN5O5/c1-10-24-25-17(31-10)15(28)20(2,3)19-23-13(14(27)18(30)26(19)4)16(29)22-9-11-5-7-12(21)8-6-11/h5-8,27H,9H2,1-4H3,(H,22,29)
InChIKeyROCQGNQMSKNGJU-UHFFFAOYSA-N
XLogP1.41
TPSA140.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxopropan-2-yl]-6-oxopyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxopropan-2-yl]-6-oxopyrimidine-4-carboxamide (CID 57340691) is N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxopropan-2-yl]-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxopropan-2-yl]-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxopropan-2-yl]-6-oxopyrimidine-4-carboxamide is Cc1nnc(C(=O)C(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxopropan-2-yl]-6-oxopyrimidine-4-carboxamide?
The InChIKey is ROCQGNQMSKNGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O5/c1-10-24-25-17(31-10)15(28)20(2,3)19-23-13(14(27)18(30)26(19)4)16(29)22-9-11-5-7-12(21)8-6-11/h5-8,27H,9H2,1-4H3,(H,22,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxopropan-2-yl]-6-oxopyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxopropan-2-yl]-6-oxopyrimidine-4-carboxamide has a molecular weight of 429.41 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[2-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxopropan-2-yl]-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 57340691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).