N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide

C7H9N3O3 — CID 130667873

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
SMILESCC(=O)C(=O)NCc1noc(C)n1
InChIInChI=1S/C7H9N3O3/c1-4(11)7(12)8-3-6-9-5(2)13-10-6/h3H2,1-2H3,(H,8,12)
InChIKeyZRDGEJKDWUPAEQ-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.42
Rot. Bonds3

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

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide (PubChem CID 130667873) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
PubChem CID130667873
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
SMILESCC(=O)C(=O)NCc1noc(C)n1
InChIInChI=1S/C7H9N3O3/c1-4(11)7(12)8-3-6-9-5(2)13-10-6/h3H2,1-2H3,(H,8,12)
InChIKeyZRDGEJKDWUPAEQ-UHFFFAOYSA-N
XLogP-0.42
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 103881620
2-methyl-2-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106396588
3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-sulfanylbutanamide
CID 106410052
(2R)-2-amino-3,3-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 106396531
3,5-dihydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 103892543
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955451
2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 113238378
3-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-5-oxopentanoic acid
CID 106394544
4-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 4233230
1-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119326934
2-amino-4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide
CID 103811641
2-amino-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106396516

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide (CID 130667873) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide is CC(=O)C(=O)NCc1noc(C)n1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide?
The InChIKey is ZRDGEJKDWUPAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-4(11)7(12)8-3-6-9-5(2)13-10-6/h3H2,1-2H3,(H,8,12).
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide has a molecular weight of 183.17 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide is sourced from PubChem (CID 130667873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).