N-(5-methylhexan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide

C12H21N3O3 — CID 146075518

IUPACN-(5-methylhexan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
SMILESCc1noc(=O)n1CC(=O)NC(C)CCC(C)C
InChIInChI=1S/C12H21N3O3/c1-8(2)5-6-9(3)13-11(16)7-15-10(4)14-18-12(15)17/h8-9H,5-7H2,1-4H3,(H,13,16)
InChIKeySYHVEBYJVHXPPZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.09
Rot. Bonds6

About N-(5-methylhexan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide

N-(5-methylhexan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide (PubChem CID 146075518) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
PubChem CID146075518
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-(5-methylhexan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
SMILESCc1noc(=O)n1CC(=O)NC(C)CCC(C)C
InChIInChI=1S/C12H21N3O3/c1-8(2)5-6-9(3)13-11(16)7-15-10(4)14-18-12(15)17/h8-9H,5-7H2,1-4H3,(H,13,16)
InChIKeySYHVEBYJVHXPPZ-UHFFFAOYSA-N
XLogP1.09
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-N-undecan-6-yl-4H-1,2,4-oxadiazole-3-carboxamide
CID 167057725
N-nonan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 167062705
N-(2-methylbutan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 146075502
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopentylacetamide
CID 146082727
N-(2-methylcyclohexyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 146082758
N-cyclopentyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 146082768
N-cyclopentyl-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 146082804
2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide
CID 146082823
N-(4-methylcyclohexyl)-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 154796898

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide?
The IUPAC name of N-(5-methylhexan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide (CID 146075518) is N-(5-methylhexan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide?
The canonical SMILES for N-(5-methylhexan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide is Cc1noc(=O)n1CC(=O)NC(C)CCC(C)C.
What is the InChIKey of N-(5-methylhexan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide?
The InChIKey is SYHVEBYJVHXPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(2)5-6-9(3)13-11(16)7-15-10(4)14-18-12(15)17/h8-9H,5-7H2,1-4H3,(H,13,16).
What are the key properties of N-(5-methylhexan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide?
N-(5-methylhexan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide has a molecular weight of 255.32 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide is sourced from PubChem (CID 146075518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).