3-[3-(3-aminophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol

C11H13N3O2 — CID 79201009

IUPAC3-[3-(3-aminophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESNc1cccc(-c2noc(CCCO)n2)c1
InChIInChI=1S/C11H13N3O2/c12-9-4-1-3-8(7-9)11-13-10(16-14-11)5-2-6-15/h1,3-4,7,15H,2,5-6,12H2
InChIKeyVFCRHEMUOAXBQB-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.24
Rot. Bonds4

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

3-[3-(3-aminophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 79201009) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-[3-(3-aminophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3-aminophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID79201009
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-[3-(3-aminophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESNc1cccc(-c2noc(CCCO)n2)c1
InChIInChI=1S/C11H13N3O2/c12-9-4-1-3-8(7-9)11-13-10(16-14-11)5-2-6-15/h1,3-4,7,15H,2,5-6,12H2
InChIKeyVFCRHEMUOAXBQB-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525276
4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191685
3-(5-benzyl-1,2,4-oxadiazol-3-yl)aniline
CID 43525256
3-[2-(3-aminophenyl)pyrimidin-5-yl]propan-1-ol
CID 112754962
3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 62387381
2-[3-(3-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 68846646
6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 43152107
4-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-ol
CID 79192298
3-[3-[3-[5-(2-carboxyethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 102054948
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191177
3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 43525273
3-[5-(3-chloropropyl)-1,2,4-oxadiazol-3-yl]-N'-hydroxybenzenecarboximidamide
CID 173478321

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-aminophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(3-aminophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 79201009) is 3-[3-(3-aminophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(3-aminophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(3-aminophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is Nc1cccc(-c2noc(CCCO)n2)c1.
What is the InChIKey of 3-[3-(3-aminophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is VFCRHEMUOAXBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-9-4-1-3-8(7-9)11-13-10(16-14-11)5-2-6-15/h1,3-4,7,15H,2,5-6,12H2.
What are the key properties of 3-[3-(3-aminophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
3-[3-(3-aminophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 219.24 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-aminophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 79201009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).