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

C7H10ClN3O2 — CID 103881620

IUPAC2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)C(C)Cl)no1
InChIInChI=1S/C7H10ClN3O2/c1-4(8)7(12)9-3-6-10-5(2)13-11-6/h4H,3H2,1-2H3,(H,9,12)
InChIKeyPECLCLOHLWOCGY-UHFFFAOYSA-N
MW203.63 g/mol
LogP0.62
Rot. Bonds3

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

2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide (PubChem CID 103881620) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
PubChem CID103881620
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)C(C)Cl)no1
InChIInChI=1S/C7H10ClN3O2/c1-4(8)7(12)9-3-6-10-5(2)13-11-6/h4H,3H2,1-2H3,(H,9,12)
InChIKeyPECLCLOHLWOCGY-UHFFFAOYSA-N
XLogP0.62
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-sulfanylbutanamide
CID 106410052
2-amino-4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide
CID 103811641
(2R)-2-amino-3,3-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 106396531
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
CID 130667873
2-amino-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106396516
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide
CID 107911409
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide
CID 106402516
3-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-5-oxopentanoic acid
CID 106394544
ethyl 3,3-dimethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]butanoate
CID 104917814
2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106391286
2-methyl-2-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106396588
2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 113238378

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The IUPAC name of 2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide (CID 103881620) is 2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide is Cc1nc(CNC(=O)C(C)Cl)no1.
What is the InChIKey of 2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The InChIKey is PECLCLOHLWOCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c1-4(8)7(12)9-3-6-10-5(2)13-11-6/h4H,3H2,1-2H3,(H,9,12).
What are the key properties of 2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide has a molecular weight of 203.63 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide is sourced from PubChem (CID 103881620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).