N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide

C14H19N5O2 — CID 72883781

IUPACN-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide
SMILESCC(=O)N[C@H](CC(C)C)c1nc(-c2ccc(C)nn2)no1
InChIInChI=1S/C14H19N5O2/c1-8(2)7-12(15-10(4)20)14-16-13(19-21-14)11-6-5-9(3)17-18-11/h5-6,8,12H,7H2,1-4H3,(H,15,20)/t12-/m1/s1
InChIKeyUNQLNBUUGKCZCN-GFCCVEGCSA-N
MW289.34 g/mol
LogP2.06
Rot. Bonds5

About N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide

N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide (PubChem CID 72883781) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide
PubChem CID72883781
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide
SMILESCC(=O)N[C@H](CC(C)C)c1nc(-c2ccc(C)nn2)no1
InChIInChI=1S/C14H19N5O2/c1-8(2)7-12(15-10(4)20)14-16-13(19-21-14)11-6-5-9(3)17-18-11/h5-6,8,12H,7H2,1-4H3,(H,15,20)/t12-/m1/s1
InChIKeyUNQLNBUUGKCZCN-GFCCVEGCSA-N
XLogP2.06
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide?
The IUPAC name of N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide (CID 72883781) is N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide.
What is the SMILES notation for N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide?
The canonical SMILES for N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide is CC(=O)N[C@H](CC(C)C)c1nc(-c2ccc(C)nn2)no1.
What is the InChIKey of N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide?
The InChIKey is UNQLNBUUGKCZCN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-8(2)7-12(15-10(4)20)14-16-13(19-21-14)11-6-5-9(3)17-18-11/h5-6,8,12H,7H2,1-4H3,(H,15,20)/t12-/m1/s1.
What are the key properties of N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide?
N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide has a molecular weight of 289.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butyl]acetamide is sourced from PubChem (CID 72883781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).