2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol

C13H17N3O2 — CID 65333020

IUPAC2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol
SMILESCC(Nc1cccc(-c2nnco2)c1)C(C)(C)O
InChIInChI=1S/C13H17N3O2/c1-9(13(2,3)17)15-11-6-4-5-10(7-11)12-16-14-8-18-12/h4-9,15,17H,1-3H3
InChIKeyZZCCQHLNDSYWFS-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.31
Rot. Bonds4

About 2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol

2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol (PubChem CID 65333020) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol
PubChem CID65333020
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol
SMILESCC(Nc1cccc(-c2nnco2)c1)C(C)(C)O
InChIInChI=1S/C13H17N3O2/c1-9(13(2,3)17)15-11-6-4-5-10(7-11)12-16-14-8-18-12/h4-9,15,17H,1-3H3
InChIKeyZZCCQHLNDSYWFS-UHFFFAOYSA-N
XLogP2.31
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol?
The IUPAC name of 2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol (CID 65333020) is 2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol is CC(Nc1cccc(-c2nnco2)c1)C(C)(C)O.
What is the InChIKey of 2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol?
The InChIKey is ZZCCQHLNDSYWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(13(2,3)17)15-11-6-4-5-10(7-11)12-16-14-8-18-12/h4-9,15,17H,1-3H3.
What are the key properties of 2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol?
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol has a molecular weight of 247.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol is sourced from PubChem (CID 65333020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).