N-[(2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide

C23H27N5O4 — CID 10160255

IUPACN-[(2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide
SMILESCC(C)[C@@H](NC(=O)Cn1c(-c2ccccc2)nccc1=O)C(=O)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C23H27N5O4/c1-14(2)18(19(31)21-26-27-22(32-21)23(3,4)5)25-16(29)13-28-17(30)11-12-24-20(28)15-9-7-6-8-10-15/h6-12,14,18H,13H2,1-5H3,(H,25,29)/t18-/m1/s1
InChIKeyOGKPWZJGSYIJSS-GOSISDBHSA-N
MW437.50 g/mol
LogP2.61
Rot. Bonds7

About N-[(2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide

N-[(2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide (PubChem CID 10160255) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[(2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide
PubChem CID10160255
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC NameN-[(2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide
SMILESCC(C)[C@@H](NC(=O)Cn1c(-c2ccccc2)nccc1=O)C(=O)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C23H27N5O4/c1-14(2)18(19(31)21-26-27-22(32-21)23(3,4)5)25-16(29)13-28-17(30)11-12-24-20(28)15-9-7-6-8-10-15/h6-12,14,18H,13H2,1-5H3,(H,25,29)/t18-/m1/s1
InChIKeyOGKPWZJGSYIJSS-GOSISDBHSA-N
XLogP2.61
TPSA119.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide?
The IUPAC name of N-[(2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide (CID 10160255) is N-[(2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide is CC(C)[C@@H](NC(=O)Cn1c(-c2ccccc2)nccc1=O)C(=O)c1nnc(C(C)(C)C)o1.
What is the InChIKey of N-[(2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide?
The InChIKey is OGKPWZJGSYIJSS-GOSISDBHSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-14(2)18(19(31)21-26-27-22(32-21)23(3,4)5)25-16(29)13-28-17(30)11-12-24-20(28)15-9-7-6-8-10-15/h6-12,14,18H,13H2,1-5H3,(H,25,29)/t18-/m1/s1.
What are the key properties of N-[(2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide?
N-[(2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide has a molecular weight of 437.50 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 10160255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).