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

C14H27N3O2 — CID 62015891

IUPAC2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C14H27N3O2/c1-6-11(7-2)17(8-9-18)10-12-15-16-13(19-12)14(3,4)5/h11,18H,6-10H2,1-5H3
InChIKeyKAWYZDMZFPFZHQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.35
Rot. Bonds7

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

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-pentan-3-ylamino]ethanol (PubChem CID 62015891) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-pentan-3-ylamino]ethanol
PubChem CID62015891
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C14H27N3O2/c1-6-11(7-2)17(8-9-18)10-12-15-16-13(19-12)14(3,4)5/h11,18H,6-10H2,1-5H3
InChIKeyKAWYZDMZFPFZHQ-UHFFFAOYSA-N
XLogP2.35
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-pentan-3-ylamino]ethanol (CID 62015891) is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)Cc1nnc(C(C)(C)C)o1.
What is the InChIKey of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-pentan-3-ylamino]ethanol?
The InChIKey is KAWYZDMZFPFZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-6-11(7-2)17(8-9-18)10-12-15-16-13(19-12)14(3,4)5/h11,18H,6-10H2,1-5H3.
What are the key properties of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-pentan-3-ylamino]ethanol?
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-pentan-3-ylamino]ethanol has a molecular weight of 269.39 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-pentan-3-ylamino]ethanol is sourced from PubChem (CID 62015891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).