3-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide

C16H21N3O2 — CID 83286620

IUPAC3-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
SMILESCc1cccc(-c2noc(C(C)NC(=O)CC(C)C)n2)c1
InChIInChI=1S/C16H21N3O2/c1-10(2)8-14(20)17-12(4)16-18-15(19-21-16)13-7-5-6-11(3)9-13/h5-7,9-10,12H,8H2,1-4H3,(H,17,20)
InChIKeyLTOIKNRENRMSFW-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.27
Rot. Bonds5

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

3-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide (PubChem CID 83286620) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
PubChem CID83286620
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
SMILESCc1cccc(-c2noc(C(C)NC(=O)CC(C)C)n2)c1
InChIInChI=1S/C16H21N3O2/c1-10(2)8-14(20)17-12(4)16-18-15(19-21-16)13-7-5-6-11(3)9-13/h5-7,9-10,12H,8H2,1-4H3,(H,17,20)
InChIKeyLTOIKNRENRMSFW-UHFFFAOYSA-N
XLogP3.27
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 7449663
N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide
CID 83280029
2-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101311
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 17101235
3-ethyl-1-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
CID 167186137
4-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propan-2-ylpyrazole-5-carboxamide
CID 167186132
N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-nitrobenzamide
CID 83286859
2-amino-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 119342756
2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 63561813
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 46128953
4-(4-hydroxybutyl)-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carboxamide
CID 125436245
4-amino-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 120563931

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide?
The IUPAC name of 3-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide (CID 83286620) is 3-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide is Cc1cccc(-c2noc(C(C)NC(=O)CC(C)C)n2)c1.
What is the InChIKey of 3-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide?
The InChIKey is LTOIKNRENRMSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)8-14(20)17-12(4)16-18-15(19-21-16)13-7-5-6-11(3)9-13/h5-7,9-10,12H,8H2,1-4H3,(H,17,20).
What are the key properties of 3-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide?
3-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide has a molecular weight of 287.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide is sourced from PubChem (CID 83286620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).