N-(4-methoxy-2,2-dimethylbutyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine

C16H23N3O2 — CID 133466528

IUPACN-(4-methoxy-2,2-dimethylbutyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCC(C)(C)CNc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C16H23N3O2/c1-12-5-7-13(8-6-12)14-18-15(21-19-14)17-11-16(2,3)9-10-20-4/h5-8H,9-11H2,1-4H3,(H,17,18,19)
InChIKeyZLNJQZQRNHLUCE-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.52
Rot. Bonds7

About N-(4-methoxy-2,2-dimethylbutyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine

N-(4-methoxy-2,2-dimethylbutyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 133466528) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(4-methoxy-2,2-dimethylbutyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(4-methoxy-2,2-dimethylbutyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID133466528
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(4-methoxy-2,2-dimethylbutyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCC(C)(C)CNc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C16H23N3O2/c1-12-5-7-13(8-6-12)14-18-15(21-19-14)17-11-16(2,3)9-10-20-4/h5-8H,9-11H2,1-4H3,(H,17,18,19)
InChIKeyZLNJQZQRNHLUCE-UHFFFAOYSA-N
XLogP3.52
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62596320
4-methyl-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]amino]pentanoic acid
CID 122059071
N-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-oxadiazol-5-amine
CID 62596162
3-(3-bromo-4-chlorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 113337349
3-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342235
3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 119027809
N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine
CID 62594100
ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]acetate
CID 4126918
3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 46342115
N-(2-methoxyethyl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-amine
CID 113329658
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000
N-ethyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62817614

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine (CID 133466528) is N-(4-methoxy-2,2-dimethylbutyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(4-methoxy-2,2-dimethylbutyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(4-methoxy-2,2-dimethylbutyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine is COCCC(C)(C)CNc1nc(-c2ccc(C)cc2)no1.
What is the InChIKey of N-(4-methoxy-2,2-dimethylbutyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is ZLNJQZQRNHLUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-5-7-13(8-6-12)14-18-15(21-19-14)17-11-16(2,3)9-10-20-4/h5-8H,9-11H2,1-4H3,(H,17,18,19).
What are the key properties of N-(4-methoxy-2,2-dimethylbutyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine?
N-(4-methoxy-2,2-dimethylbutyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 289.38 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,2-dimethylbutyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 133466528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).