4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide

C18H16ClN3O2 — CID 30333479

IUPAC4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide
SMILESO=C(CCCCl)Nc1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H16ClN3O2/c19-12-6-11-16(23)20-15-10-5-4-9-14(15)18-21-17(22-24-18)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,20,23)
InChIKeyNSJPZIQMUFRDHQ-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.36
Rot. Bonds6

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

4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide (PubChem CID 30333479) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide
PubChem CID30333479
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide
SMILESO=C(CCCCl)Nc1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H16ClN3O2/c19-12-6-11-16(23)20-15-10-5-4-9-14(15)18-21-17(22-24-18)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,20,23)
InChIKeyNSJPZIQMUFRDHQ-UHFFFAOYSA-N
XLogP4.36
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.36
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

2-phenoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4896404
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide
CID 30333369
2-(4-methoxyphenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4901930
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide
CID 39867097
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methylpentanamide
CID 30333438
2-(3-methylphenoxy)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 20896070
2-iodo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329655
3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
CID 39866205
methyl 4-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino]-4-oxobutanoate
CID 46266834
N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide
CID 30333388
5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 16763198
2-(4-chlorophenyl)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30332574

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide?
The IUPAC name of 4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide (CID 30333479) is 4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide.
What is the SMILES notation for 4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide?
The canonical SMILES for 4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide is O=C(CCCCl)Nc1ccccc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of 4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide?
The InChIKey is NSJPZIQMUFRDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-12-6-11-16(23)20-15-10-5-4-9-14(15)18-21-17(22-24-18)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,20,23).
What are the key properties of 4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide?
4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide has a molecular weight of 341.80 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 30333479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).