3-[5-(2-amino-4,4-dimethylpentyl)-1,2,4-oxadiazol-3-yl]phenol

C15H21N3O2 — CID 107921078

IUPAC3-[5-(2-amino-4,4-dimethylpentyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCC(C)(C)CC(N)Cc1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)9-11(16)8-13-17-14(18-20-13)10-5-4-6-12(19)7-10/h4-7,11,19H,8-9,16H2,1-3H3
InChIKeyVINGGUCPVXYSOW-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.75
Rot. Bonds4

About 3-[5-(2-amino-4,4-dimethylpentyl)-1,2,4-oxadiazol-3-yl]phenol

3-[5-(2-amino-4,4-dimethylpentyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 107921078) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[5-(2-amino-4,4-dimethylpentyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(2-amino-4,4-dimethylpentyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID107921078
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[5-(2-amino-4,4-dimethylpentyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCC(C)(C)CC(N)Cc1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)9-11(16)8-13-17-14(18-20-13)10-5-4-6-12(19)7-10/h4-7,11,19H,8-9,16H2,1-3H3
InChIKeyVINGGUCPVXYSOW-UHFFFAOYSA-N
XLogP2.75
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-2-amine
CID 107916218
3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921209
3-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile
CID 107922321
3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol
CID 96810008
2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 107922223
3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 103822428
3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 103832480
3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921255
3-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]phenol
CID 62503643
3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
CID 107921953
methyl 3-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 22343201
3-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]phenol
CID 78953778

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-amino-4,4-dimethylpentyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(2-amino-4,4-dimethylpentyl)-1,2,4-oxadiazol-3-yl]phenol (CID 107921078) is 3-[5-(2-amino-4,4-dimethylpentyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(2-amino-4,4-dimethylpentyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(2-amino-4,4-dimethylpentyl)-1,2,4-oxadiazol-3-yl]phenol is CC(C)(C)CC(N)Cc1nc(-c2cccc(O)c2)no1.
What is the InChIKey of 3-[5-(2-amino-4,4-dimethylpentyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is VINGGUCPVXYSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,3)9-11(16)8-13-17-14(18-20-13)10-5-4-6-12(19)7-10/h4-7,11,19H,8-9,16H2,1-3H3.
What are the key properties of 3-[5-(2-amino-4,4-dimethylpentyl)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(2-amino-4,4-dimethylpentyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 275.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-amino-4,4-dimethylpentyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 107921078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).