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

C23H25N5O4 — CID 10160118

IUPACN-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-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(C2(C)CC2)o1
InChIInChI=1S/C23H25N5O4/c1-14(2)18(19(31)21-26-27-22(32-21)23(3)10-11-23)25-16(29)13-28-17(30)9-12-24-20(28)15-7-5-4-6-8-15/h4-9,12,14,18H,10-11,13H2,1-3H3,(H,25,29)/t18-/m0/s1
InChIKeySCIVRVWOMXUIGH-SFHVURJKSA-N
MW435.48 g/mol
LogP2.37
Rot. Bonds8

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

N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide (PubChem CID 10160118) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide
PubChem CID10160118
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC NameN-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-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(C2(C)CC2)o1
InChIInChI=1S/C23H25N5O4/c1-14(2)18(19(31)21-26-27-22(32-21)23(3)10-11-23)25-16(29)13-28-17(30)9-12-24-20(28)15-7-5-4-6-8-15/h4-9,12,14,18H,10-11,13H2,1-3H3,(H,25,29)/t18-/m0/s1
InChIKeySCIVRVWOMXUIGH-SFHVURJKSA-N
XLogP2.37
TPSA119.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide?
The IUPAC name of N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide (CID 10160118) is N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-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(C2(C)CC2)o1.
What is the InChIKey of N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide?
The InChIKey is SCIVRVWOMXUIGH-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-14(2)18(19(31)21-26-27-22(32-21)23(3)10-11-23)25-16(29)13-28-17(30)9-12-24-20(28)15-7-5-4-6-8-15/h4-9,12,14,18H,10-11,13H2,1-3H3,(H,25,29)/t18-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide?
N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide has a molecular weight of 435.48 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(6-oxo-2-phenylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 10160118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).