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

C19H19FN6O5 — CID 86575163

IUPACN-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-1,3,4-oxadiazole-2-carboxamide
SMILESCn1c(C(C)(C)NC(=O)c2nnco2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O
InChIInChI=1S/C19H19FN6O5/c1-19(2,24-15(29)16-25-22-9-31-16)18-23-12(13(27)17(30)26(18)3)14(28)21-8-10-4-6-11(20)7-5-10/h4-7,9,27H,8H2,1-3H3,(H,21,28)(H,24,29)
InChIKeyJWKBWRBKQWFFGF-UHFFFAOYSA-N
MW430.40 g/mol
LogP0.60
Rot. Bonds6

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

N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 86575163) has the molecular formula C19H19FN6O5 and a molecular weight of 430.40 g/mol. Its IUPAC name is N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID86575163
Molecular FormulaC19H19FN6O5
Molecular Weight430.40 g/mol
Exact Mass430.14
IUPAC NameN-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-1,3,4-oxadiazole-2-carboxamide
SMILESCn1c(C(C)(C)NC(=O)c2nnco2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O
InChIInChI=1S/C19H19FN6O5/c1-19(2,24-15(29)16-25-22-9-31-16)18-23-12(13(27)17(30)26(18)3)14(28)21-8-10-4-6-11(20)7-5-10/h4-7,9,27H,8H2,1-3H3,(H,21,28)(H,24,29)
InChIKeyJWKBWRBKQWFFGF-UHFFFAOYSA-N
XLogP0.60
TPSA152.24 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-1,3,4-oxadiazole-2-carboxamide (CID 86575163) is N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-1,3,4-oxadiazole-2-carboxamide is Cn1c(C(C)(C)NC(=O)c2nnco2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O.
What is the InChIKey of N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is JWKBWRBKQWFFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O5/c1-19(2,24-15(29)16-25-22-9-31-16)18-23-12(13(27)17(30)26(18)3)14(28)21-8-10-4-6-11(20)7-5-10/h4-7,9,27H,8H2,1-3H3,(H,21,28)(H,24,29).
What are the key properties of N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-1,3,4-oxadiazole-2-carboxamide?
N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 430.40 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 86575163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).