2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)anilino]ethanol

C14H19N3O2 — CID 60837428

IUPAC2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)anilino]ethanol
SMILESCC(C)(C)c1noc(-c2ccc(NCCO)cc2)n1
InChIInChI=1S/C14H19N3O2/c1-14(2,3)13-16-12(19-17-13)10-4-6-11(7-5-10)15-8-9-18/h4-7,15,18H,8-9H2,1-3H3
InChIKeyUBKJGIWIFGCMCB-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.44
Rot. Bonds4

About 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)anilino]ethanol

2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)anilino]ethanol (PubChem CID 60837428) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)anilino]ethanol
PubChem CID60837428
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)anilino]ethanol
SMILESCC(C)(C)c1noc(-c2ccc(NCCO)cc2)n1
InChIInChI=1S/C14H19N3O2/c1-14(2,3)13-16-12(19-17-13)10-4-6-11(7-5-10)15-8-9-18/h4-7,15,18H,8-9H2,1-3H3
InChIKeyUBKJGIWIFGCMCB-UHFFFAOYSA-N
XLogP2.44
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)anilino]ethanol?
The IUPAC name of 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)anilino]ethanol (CID 60837428) is 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)anilino]ethanol.
What is the SMILES notation for 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)anilino]ethanol?
The canonical SMILES for 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)anilino]ethanol is CC(C)(C)c1noc(-c2ccc(NCCO)cc2)n1.
What is the InChIKey of 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)anilino]ethanol?
The InChIKey is UBKJGIWIFGCMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,3)13-16-12(19-17-13)10-4-6-11(7-5-10)15-8-9-18/h4-7,15,18H,8-9H2,1-3H3.
What are the key properties of 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)anilino]ethanol?
2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)anilino]ethanol has a molecular weight of 261.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)anilino]ethanol is sourced from PubChem (CID 60837428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).