N-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide

C7H11N3O3 — CID 137243240

IUPACN-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCCC(C)NC(=O)c1noc(=O)[nH]1
InChIInChI=1S/C7H11N3O3/c1-3-4(2)8-6(11)5-9-7(12)13-10-5/h4H,3H2,1-2H3,(H,8,11)(H,9,10,12)
InChIKeyLMDBIJYMVNNUKI-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.11
Rot. Bonds3

About N-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide

N-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (PubChem CID 137243240) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is N-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
PubChem CID137243240
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC NameN-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCCC(C)NC(=O)c1noc(=O)[nH]1
InChIInChI=1S/C7H11N3O3/c1-3-4(2)8-6(11)5-9-7(12)13-10-5/h4H,3H2,1-2H3,(H,8,11)(H,9,10,12)
InChIKeyLMDBIJYMVNNUKI-UHFFFAOYSA-N
XLogP-0.11
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide
CID 137225636
N-ethyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137232774
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
5-Oxo-4-propan-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 124704699
N-ethyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 130685667
N-(2-methylcyclopropyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137181222
(2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride
CID 137184744
(2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 137184745
N-(2-cyanoethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137194850
N-[(1R)-1-cyanoethyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137211684
N-(1-cyanoethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137212797

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (CID 137243240) is N-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is CCC(C)NC(=O)c1noc(=O)[nH]1.
What is the InChIKey of N-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is LMDBIJYMVNNUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-3-4(2)8-6(11)5-9-7(12)13-10-5/h4H,3H2,1-2H3,(H,8,11)(H,9,10,12).
What are the key properties of N-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
N-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 185.18 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 137243240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).