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

C12H15N3O2 — CID 115081504

IUPAC3-[[5-(2-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
SMILESCC(N)Cc1nc(Cc2cccc(O)c2)no1
InChIInChI=1S/C12H15N3O2/c1-8(13)5-12-14-11(15-17-12)7-9-3-2-4-10(16)6-9/h2-4,6,8,16H,5,7,13H2,1H3
InChIKeyRIFVPRGZVBGXGU-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.26
Rot. Bonds4

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

3-[[5-(2-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol (PubChem CID 115081504) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[[5-(2-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[5-(2-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
PubChem CID115081504
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-[[5-(2-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
SMILESCC(N)Cc1nc(Cc2cccc(O)c2)no1
InChIInChI=1S/C12H15N3O2/c1-8(13)5-12-14-11(15-17-12)7-9-3-2-4-10(16)6-9/h2-4,6,8,16H,5,7,13H2,1H3
InChIKeyRIFVPRGZVBGXGU-UHFFFAOYSA-N
XLogP1.26
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[5-(2-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62901112
3-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 115078870
3-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65133331
1-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 55200671
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine;hydrochloride
CID 119947668
1-[5-[(3-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078829
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62653786
3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
CID 63346227
N-methyl-1-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350989
3-hydroxy-4-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524109
1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62694731
3-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]phenol
CID 104590737

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol?
The IUPAC name of 3-[[5-(2-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol (CID 115081504) is 3-[[5-(2-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol.
What is the SMILES notation for 3-[[5-(2-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol?
The canonical SMILES for 3-[[5-(2-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol is CC(N)Cc1nc(Cc2cccc(O)c2)no1.
What is the InChIKey of 3-[[5-(2-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol?
The InChIKey is RIFVPRGZVBGXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(13)5-12-14-11(15-17-12)7-9-3-2-4-10(16)6-9/h2-4,6,8,16H,5,7,13H2,1H3.
What are the key properties of 3-[[5-(2-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol?
3-[[5-(2-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol has a molecular weight of 233.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol is sourced from PubChem (CID 115081504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).