3-butoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide

C20H21N3O3 — CID 30330712

IUPAC3-butoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccccc2-c2nc(C)no2)c1
InChIInChI=1S/C20H21N3O3/c1-3-4-12-25-16-9-7-8-15(13-16)19(24)22-18-11-6-5-10-17(18)20-21-14(2)23-26-20/h5-11,13H,3-4,12H2,1-2H3,(H,22,24)
InChIKeyLHQDMWFFRDIHJD-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.48
Rot. Bonds7

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

3-butoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (PubChem CID 30330712) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-butoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-butoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
PubChem CID30330712
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-butoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccccc2-c2nc(C)no2)c1
InChIInChI=1S/C20H21N3O3/c1-3-4-12-25-16-9-7-8-15(13-16)19(24)22-18-11-6-5-10-17(18)20-21-14(2)23-26-20/h5-11,13H,3-4,12H2,1-2H3,(H,22,24)
InChIKeyLHQDMWFFRDIHJD-UHFFFAOYSA-N
XLogP4.48
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-propoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330564
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide
CID 30330604
N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 30329032
2-[(3-butoxybenzoyl)amino]-N-methylbenzamide
CID 17354046
4-butoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562023
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide
CID 4956581
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-methoxybenzamide
CID 4972451
3-butoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074307
3-(2-methoxyethoxy)-N-(2-phenylphenyl)benzamide
CID 60564696
3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607600

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-butoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (CID 30330712) is 3-butoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-butoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-butoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is CCCCOc1cccc(C(=O)Nc2ccccc2-c2nc(C)no2)c1.
What is the InChIKey of 3-butoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The InChIKey is LHQDMWFFRDIHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-4-12-25-16-9-7-8-15(13-16)19(24)22-18-11-6-5-10-17(18)20-21-14(2)23-26-20/h5-11,13H,3-4,12H2,1-2H3,(H,22,24).
What are the key properties of 3-butoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
3-butoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 30330712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).