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

C7H11N3O3 — CID 137243246

IUPAC2-methyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCC(C)C(=O)NCc1noc(=O)[nH]1
InChIInChI=1S/C7H11N3O3/c1-4(2)6(11)8-3-5-9-7(12)13-10-5/h4H,3H2,1-2H3,(H,8,11)(H,9,10,12)
InChIKeyPHGDZADHKPMUAI-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.36
Rot. Bonds3

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

2-methyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide (PubChem CID 137243246) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-methyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide
PubChem CID137243246
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-methyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCC(C)C(=O)NCc1noc(=O)[nH]1
InChIInChI=1S/C7H11N3O3/c1-4(2)6(11)8-3-5-9-7(12)13-10-5/h4H,3H2,1-2H3,(H,8,11)(H,9,10,12)
InChIKeyPHGDZADHKPMUAI-UHFFFAOYSA-N
XLogP-0.36
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 ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-methylpropanamide
CID 61133338
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2,2-dimethylpropanamide
CID 112493814
N-[(Z)-C-(formamidomethyl)-N-hydroxycarbonimidoyl]-2-methylpropanamide
CID 135528302
N-[(E)-C-(formamidomethyl)-N-hydroxycarbonimidoyl]-2-methylpropanamide
CID 135929453
(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-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 137214188
N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropanecarboxamide
CID 137216292
N-(cyclopropylmethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137216587
N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide;hydrochloride
CID 137238705
N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]azetidine-3-carboxamide
CID 137238706
N-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137243240

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide (CID 137243246) is 2-methyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide is CC(C)C(=O)NCc1noc(=O)[nH]1.
What is the InChIKey of 2-methyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The InChIKey is PHGDZADHKPMUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-4(2)6(11)8-3-5-9-7(12)13-10-5/h4H,3H2,1-2H3,(H,8,11)(H,9,10,12).
What are the key properties of 2-methyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide?
2-methyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide has a molecular weight of 185.18 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide is sourced from PubChem (CID 137243246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).