3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol

C12H15N3O2 — CID 96810008

IUPAC3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESCC(C)[C@@H](N)c1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C12H15N3O2/c1-7(2)10(13)12-14-11(15-17-12)8-4-3-5-9(16)6-8/h3-7,10,16H,13H2,1-2H3/t10-/m1/s1
InChIKeyXXVHXKCPNJGSNE-SNVBAGLBSA-N
MW233.27 g/mol
LogP2.10
Rot. Bonds3

About 3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol

3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 96810008) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol
PubChem CID96810008
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESCC(C)[C@@H](N)c1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C12H15N3O2/c1-7(2)10(13)12-14-11(15-17-12)8-4-3-5-9(16)6-8/h3-7,10,16H,13H2,1-2H3/t10-/m1/s1
InChIKeyXXVHXKCPNJGSNE-SNVBAGLBSA-N
XLogP2.10
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-[amino(thiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921115
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901533
(1S)-2-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104901617
(1R)-2-methyl-1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104901602
3-[5-[(1R)-1-amino-2-methylpropyl]-1H-1,2,4-triazol-3-yl]phenol
CID 97288479
2-methyl-1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 43625121
1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 43519296
3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921033
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 43152100
3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
CID 107921953
(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 162768019
(1R)-1-[3-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901771

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol (CID 96810008) is 3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol is CC(C)[C@@H](N)c1nc(-c2cccc(O)c2)no1.
What is the InChIKey of 3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is XXVHXKCPNJGSNE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7(2)10(13)12-14-11(15-17-12)8-4-3-5-9(16)6-8/h3-7,10,16H,13H2,1-2H3/t10-/m1/s1.
What are the key properties of 3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol?
3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 233.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 96810008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).