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

C17H17N7O3 — CID 166194932

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)NCc1nc(C2CC2)no1
InChIInChI=1S/C17H17N7O3/c1-9-11(17(26)23-16(21-9)15-18-5-2-6-19-15)7-12(25)20-8-13-22-14(24-27-13)10-3-4-10/h2,5-6,10H,3-4,7-8H2,1H3,(H,20,25)(H,21,23,26)
InChIKeyOVEXXSNJMNLMBZ-UHFFFAOYSA-N
MW367.37 g/mol
LogP0.65
Rot. Bonds6

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

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetamide (PubChem CID 166194932) has the molecular formula C17H17N7O3 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetamide
PubChem CID166194932
Molecular FormulaC17H17N7O3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)NCc1nc(C2CC2)no1
InChIInChI=1S/C17H17N7O3/c1-9-11(17(26)23-16(21-9)15-18-5-2-6-19-15)7-12(25)20-8-13-22-14(24-27-13)10-3-4-10/h2,5-6,10H,3-4,7-8H2,1H3,(H,20,25)(H,21,23,26)
InChIKeyOVEXXSNJMNLMBZ-UHFFFAOYSA-N
XLogP0.65
TPSA139.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetamide (CID 166194932) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetamide is Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)NCc1nc(C2CC2)no1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetamide?
The InChIKey is OVEXXSNJMNLMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O3/c1-9-11(17(26)23-16(21-9)15-18-5-2-6-19-15)7-12(25)20-8-13-22-14(24-27-13)10-3-4-10/h2,5-6,10H,3-4,7-8H2,1H3,(H,20,25)(H,21,23,26).
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetamide?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetamide has a molecular weight of 367.37 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 166194932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).