3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol

C10H17N3O3 — CID 71860365

IUPAC3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol
SMILESOCCCN(CCO)c1nc(C2CC2)no1
InChIInChI=1S/C10H17N3O3/c14-6-1-4-13(5-7-15)10-11-9(12-16-10)8-2-3-8/h8,14-15H,1-7H2
InChIKeyIXBNCHBNMIVLRW-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.13
Rot. Bonds7

About 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol

3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol (PubChem CID 71860365) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol
PubChem CID71860365
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol
SMILESOCCCN(CCO)c1nc(C2CC2)no1
InChIInChI=1S/C10H17N3O3/c14-6-1-4-13(5-7-15)10-11-9(12-16-10)8-2-3-8/h8,14-15H,1-7H2
InChIKeyIXBNCHBNMIVLRW-UHFFFAOYSA-N
XLogP0.13
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol (CID 71860365) is 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol is OCCCN(CCO)c1nc(C2CC2)no1.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol?
The InChIKey is IXBNCHBNMIVLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c14-6-1-4-13(5-7-15)10-11-9(12-16-10)8-2-3-8/h8,14-15H,1-7H2.
What are the key properties of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol?
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol has a molecular weight of 227.26 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol is sourced from PubChem (CID 71860365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).