N-[1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide

C11H13N5O2 — CID 72940116

IUPACN-[1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1nc(-c2cccnn2)no1
InChIInChI=1S/C11H13N5O2/c1-7(13-8(2)17)6-10-14-11(16-18-10)9-4-3-5-12-15-9/h3-5,7H,6H2,1-2H3,(H,13,17)
InChIKeyWMGZDXLJRNLVCZ-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.59
Rot. Bonds4

About N-[1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide

N-[1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide (PubChem CID 72940116) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-[1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide
PubChem CID72940116
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-[1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1nc(-c2cccnn2)no1
InChIInChI=1S/C11H13N5O2/c1-7(13-8(2)17)6-10-14-11(16-18-10)9-4-3-5-12-15-9/h3-5,7H,6H2,1-2H3,(H,13,17)
InChIKeyWMGZDXLJRNLVCZ-UHFFFAOYSA-N
XLogP0.59
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-phenylethylsulfanyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide
CID 71907115
3-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 113329320
N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide
CID 72883781
1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
CID 115531466
4-fluoro-2-methyl-N-[(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 72928960
(2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875727
5-(2-propan-2-ylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 72911845
5-[(1S)-1-naphthalen-2-yloxyethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 97122445
5-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 146123658
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methylurea
CID 70769894
5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 97121088

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide?
The IUPAC name of N-[1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide (CID 72940116) is N-[1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide.
What is the SMILES notation for N-[1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide?
The canonical SMILES for N-[1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide is CC(=O)NC(C)Cc1nc(-c2cccnn2)no1.
What is the InChIKey of N-[1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide?
The InChIKey is WMGZDXLJRNLVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-7(13-8(2)17)6-10-14-11(16-18-10)9-4-3-5-12-15-9/h3-5,7H,6H2,1-2H3,(H,13,17).
What are the key properties of N-[1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide?
N-[1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide has a molecular weight of 247.26 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide is sourced from PubChem (CID 72940116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).