N-[2-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]propan-2-yl]acetamide

C18H18FN5O4 — CID 135978960

IUPACN-[2-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1nc(-c2noc(Cc3ccc(F)cc3)n2)c(O)c(=O)[nH]1
InChIInChI=1S/C18H18FN5O4/c1-9(25)23-18(2,3)17-21-13(14(26)16(27)22-17)15-20-12(28-24-15)8-10-4-6-11(19)7-5-10/h4-7,26H,8H2,1-3H3,(H,23,25)(H,21,22,27)
InChIKeyHTTRVGZUJNJLJH-UHFFFAOYSA-N
MW387.37 g/mol
LogP1.63
Rot. Bonds5

About N-[2-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]propan-2-yl]acetamide

N-[2-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]propan-2-yl]acetamide (PubChem CID 135978960) has the molecular formula C18H18FN5O4 and a molecular weight of 387.37 g/mol. Its IUPAC name is N-[2-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]propan-2-yl]acetamide
PubChem CID135978960
Molecular FormulaC18H18FN5O4
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC NameN-[2-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1nc(-c2noc(Cc3ccc(F)cc3)n2)c(O)c(=O)[nH]1
InChIInChI=1S/C18H18FN5O4/c1-9(25)23-18(2,3)17-21-13(14(26)16(27)22-17)15-20-12(28-24-15)8-10-4-6-11(19)7-5-10/h4-7,26H,8H2,1-3H3,(H,23,25)(H,21,22,27)
InChIKeyHTTRVGZUJNJLJH-UHFFFAOYSA-N
XLogP1.63
TPSA134.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]propan-2-yl]acetamide (CID 135978960) is N-[2-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1nc(-c2noc(Cc3ccc(F)cc3)n2)c(O)c(=O)[nH]1.
What is the InChIKey of N-[2-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]propan-2-yl]acetamide?
The InChIKey is HTTRVGZUJNJLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O4/c1-9(25)23-18(2,3)17-21-13(14(26)16(27)22-17)15-20-12(28-24-15)8-10-4-6-11(19)7-5-10/h4-7,26H,8H2,1-3H3,(H,23,25)(H,21,22,27).
What are the key properties of N-[2-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]propan-2-yl]acetamide?
N-[2-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]propan-2-yl]acetamide has a molecular weight of 387.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]propan-2-yl]acetamide is sourced from PubChem (CID 135978960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).