3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol

C11H13N3O2 — CID 62071460

IUPAC3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESNCCCc1nnc(-c2cccc(O)c2)o1
InChIInChI=1S/C11H13N3O2/c12-6-2-5-10-13-14-11(16-10)8-3-1-4-9(15)7-8/h1,3-4,7,15H,2,5-6,12H2
InChIKeyWKQZEFMZJBPOTK-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.33
Rot. Bonds4

About 3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol

3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 62071460) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID62071460
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESNCCCc1nnc(-c2cccc(O)c2)o1
InChIInChI=1S/C11H13N3O2/c12-6-2-5-10-13-14-11(16-10)8-3-1-4-9(15)7-8/h1,3-4,7,15H,2,5-6,12H2
InChIKeyWKQZEFMZJBPOTK-UHFFFAOYSA-N
XLogP1.33
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(3-bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 107952621
3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-ol
CID 82127841
3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62069880
2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62071982
3-(5-pentyl-1,3,4-oxadiazol-2-yl)benzoic acid
CID 63382298
3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol
CID 25054362
3-[5-(3-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 81262985
[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521221
3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol
CID 115084355
3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62138343
2-(3-chloropropyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 39356122
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol (CID 62071460) is 3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol is NCCCc1nnc(-c2cccc(O)c2)o1.
What is the InChIKey of 3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is WKQZEFMZJBPOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-6-2-5-10-13-14-11(16-10)8-3-1-4-9(15)7-8/h1,3-4,7,15H,2,5-6,12H2.
What are the key properties of 3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol?
3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 219.24 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 62071460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).