N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide

C13H19N5O3 — CID 91842632

IUPACN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCOCCc1noc(CNC(=O)CCn2cc(C)cn2)n1
InChIInChI=1S/C13H19N5O3/c1-10-7-15-18(9-10)5-3-12(19)14-8-13-16-11(17-21-13)4-6-20-2/h7,9H,3-6,8H2,1-2H3,(H,14,19)
InChIKeyGSFOIIPKXMMHEG-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.47
Rot. Bonds8

About N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 91842632) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID91842632
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCOCCc1noc(CNC(=O)CCn2cc(C)cn2)n1
InChIInChI=1S/C13H19N5O3/c1-10-7-15-18(9-10)5-3-12(19)14-8-13-16-11(17-21-13)4-6-20-2/h7,9H,3-6,8H2,1-2H3,(H,14,19)
InChIKeyGSFOIIPKXMMHEG-UHFFFAOYSA-N
XLogP0.47
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide (CID 91842632) is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide is COCCc1noc(CNC(=O)CCn2cc(C)cn2)n1.
What is the InChIKey of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is GSFOIIPKXMMHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-10-7-15-18(9-10)5-3-12(19)14-8-13-16-11(17-21-13)4-6-20-2/h7,9H,3-6,8H2,1-2H3,(H,14,19).
What are the key properties of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide?
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 293.33 g/mol, XLogP of 0.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 91842632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).