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

C10H17N3O2 — CID 110415619

IUPACN-(3-methylbutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCc1nc(CC(=O)NCCC(C)C)no1
InChIInChI=1S/C10H17N3O2/c1-7(2)4-5-11-10(14)6-9-12-8(3)15-13-9/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyJTHKNFYNUXCFRX-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.08
Rot. Bonds5

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

N-(3-methylbutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide (PubChem CID 110415619) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
PubChem CID110415619
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(3-methylbutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCc1nc(CC(=O)NCCC(C)C)no1
InChIInChI=1S/C10H17N3O2/c1-7(2)4-5-11-10(14)6-9-12-8(3)15-13-9/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyJTHKNFYNUXCFRX-UHFFFAOYSA-N
XLogP1.08
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidobutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110609819
2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide
CID 42764937
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955451
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-methyl-3-phenylpropyl)acetamide
CID 110608611
1-ethyl-3-(3-methylbutyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111602340
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 110625311
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943037
N-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110410122
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 90978973
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide
CID 110773848
2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 103881620
2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)acetyl]amino]-2-phenyl-N-propan-2-ylacetamide
CID 110626048

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide (CID 110415619) is N-(3-methylbutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide is Cc1nc(CC(=O)NCCC(C)C)no1.
What is the InChIKey of N-(3-methylbutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The InChIKey is JTHKNFYNUXCFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)4-5-11-10(14)6-9-12-8(3)15-13-9/h7H,4-6H2,1-3H3,(H,11,14).
What are the key properties of N-(3-methylbutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
N-(3-methylbutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide has a molecular weight of 211.26 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 110415619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).