N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

C12H15N5O3 — CID 154876792

IUPACN-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCc1cc(=O)[nH]c(NC(=O)CCc2nc(C)no2)n1
InChIInChI=1S/C12H15N5O3/c1-3-8-6-10(19)16-12(14-8)15-9(18)4-5-11-13-7(2)17-20-11/h6H,3-5H2,1-2H3,(H2,14,15,16,18,19)
InChIKeyGUHDYZYHHGTWES-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.60
Rot. Bonds5

About N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 154876792) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID154876792
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC NameN-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCc1cc(=O)[nH]c(NC(=O)CCc2nc(C)no2)n1
InChIInChI=1S/C12H15N5O3/c1-3-8-6-10(19)16-12(14-8)15-9(18)4-5-11-13-7(2)17-20-11/h6H,3-5H2,1-2H3,(H2,14,15,16,18,19)
InChIKeyGUHDYZYHHGTWES-UHFFFAOYSA-N
XLogP0.60
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (CID 154876792) is N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is CCc1cc(=O)[nH]c(NC(=O)CCc2nc(C)no2)n1.
What is the InChIKey of N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is GUHDYZYHHGTWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-3-8-6-10(19)16-12(14-8)15-9(18)4-5-11-13-7(2)17-20-11/h6H,3-5H2,1-2H3,(H2,14,15,16,18,19).
What are the key properties of N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 277.28 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 154876792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).