2-[5-(2-amino-3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol

C10H19N3O2 — CID 104826986

IUPAC2-[5-(2-amino-3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(C)(C)C(N)Cc1nc(CCO)no1
InChIInChI=1S/C10H19N3O2/c1-10(2,3)7(11)6-9-12-8(4-5-14)13-15-9/h7,14H,4-6,11H2,1-3H3
InChIKeyRETFCPRDVQPVJP-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.52
Rot. Bonds4

About 2-[5-(2-amino-3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol

2-[5-(2-amino-3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104826986) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[5-(2-amino-3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2-amino-3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104826986
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-[5-(2-amino-3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(C)(C)C(N)Cc1nc(CCO)no1
InChIInChI=1S/C10H19N3O2/c1-10(2,3)7(11)6-9-12-8(4-5-14)13-15-9/h7,14H,4-6,11H2,1-3H3
InChIKeyRETFCPRDVQPVJP-UHFFFAOYSA-N
XLogP0.52
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine
CID 65129726
2-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115076899
3,3-dimethyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352397
1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine
CID 116704120
3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348786
1-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 114211184
3,3-dimethyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63347365
2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080406
4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65133793
1-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65137889
1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 62653406
2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633382

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-amino-3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-[5-(2-amino-3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 104826986) is 2-[5-(2-amino-3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-(2-amino-3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-[5-(2-amino-3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol is CC(C)(C)C(N)Cc1nc(CCO)no1.
What is the InChIKey of 2-[5-(2-amino-3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is RETFCPRDVQPVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-10(2,3)7(11)6-9-12-8(4-5-14)13-15-9/h7,14H,4-6,11H2,1-3H3.
What are the key properties of 2-[5-(2-amino-3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol?
2-[5-(2-amino-3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 213.28 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-amino-3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104826986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).