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

C15H19N3O2 — CID 53098234

IUPAC3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
SMILESCC(C)(C)CC(=O)NCc1noc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)9-13(19)16-10-12-17-14(20-18-12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,19)
InChIKeyIJNDXODDWVUJDQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.79
Rot. Bonds4

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

3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide (PubChem CID 53098234) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
PubChem CID53098234
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
SMILESCC(C)(C)CC(=O)NCc1noc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)9-13(19)16-10-12-17-14(20-18-12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,19)
InChIKeyIJNDXODDWVUJDQ-UHFFFAOYSA-N
XLogP2.79
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 53098206
2-(2-methylphenyl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 53098318
N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 50755617
5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide
CID 53002354
3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51233804
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-phenylpropanamide
CID 53049102
4,4,4-trifluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
CID 53098243
N-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide
CID 53098271
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 97147563
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide
CID 51098204
2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
CID 79263003
2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide
CID 46964324

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide (CID 53098234) is 3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide is CC(C)(C)CC(=O)NCc1noc(-c2ccccc2)n1.
What is the InChIKey of 3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide?
The InChIKey is IJNDXODDWVUJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,3)9-13(19)16-10-12-17-14(20-18-12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,19).
What are the key properties of 3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide?
3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide has a molecular weight of 273.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide is sourced from PubChem (CID 53098234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).