N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]acetamide

C8H13N3O3 — CID 137106092

IUPACN-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]acetamide
SMILESCC(=O)NCC(C)(C)c1noc(=O)[nH]1
InChIInChI=1S/C8H13N3O3/c1-5(12)9-4-8(2,3)6-10-7(13)14-11-6/h4H2,1-3H3,(H,9,12)(H,10,11,13)
InChIKeyKFLAUNUYLNPEKA-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.22
Rot. Bonds3

About N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]acetamide

N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]acetamide (PubChem CID 137106092) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]acetamide
PubChem CID137106092
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC NameN-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]acetamide
SMILESCC(=O)NCC(C)(C)c1noc(=O)[nH]1
InChIInChI=1S/C8H13N3O3/c1-5(12)9-4-8(2,3)6-10-7(13)14-11-6/h4H2,1-3H3,(H,9,12)(H,10,11,13)
InChIKeyKFLAUNUYLNPEKA-UHFFFAOYSA-N
XLogP-0.22
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)propyl]-2,2,2-trifluoroacetamide
CID 146082891
N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]butanamide
CID 137124180
3-[2-methyl-1-(methylamino)propan-2-yl]-4H-1,2,4-oxadiazol-5-one
CID 137159109
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)acetamide
CID 104873716
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)propanamide
CID 104873717
N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]acetamide
CID 133624193
N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 137214188
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-methylacetamide
CID 154810400

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]acetamide?
The IUPAC name of N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]acetamide (CID 137106092) is N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]acetamide.
What is the SMILES notation for N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]acetamide?
The canonical SMILES for N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]acetamide is CC(=O)NCC(C)(C)c1noc(=O)[nH]1.
What is the InChIKey of N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]acetamide?
The InChIKey is KFLAUNUYLNPEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-5(12)9-4-8(2,3)6-10-7(13)14-11-6/h4H2,1-3H3,(H,9,12)(H,10,11,13).
What are the key properties of N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]acetamide?
N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]acetamide has a molecular weight of 199.21 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]acetamide is sourced from PubChem (CID 137106092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).