(2R)-2-phenyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol

C16H17N3O2S — CID 95306671

IUPAC(2R)-2-phenyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol
SMILESC[C@@](CO)(NCc1nc(-c2ccsc2)no1)c1ccccc1
InChIInChI=1S/C16H17N3O2S/c1-16(11-20,13-5-3-2-4-6-13)17-9-14-18-15(19-21-14)12-7-8-22-10-12/h2-8,10,17,20H,9,11H2,1H3/t16-/m0/s1
InChIKeyIMIUFQJIYHQLRI-INIZCTEOSA-N
MW315.40 g/mol
LogP2.80
Rot. Bonds6

About (2R)-2-phenyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol

(2R)-2-phenyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol (PubChem CID 95306671) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol
PubChem CID95306671
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name(2R)-2-phenyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol
SMILESC[C@@](CO)(NCc1nc(-c2ccsc2)no1)c1ccccc1
InChIInChI=1S/C16H17N3O2S/c1-16(11-20,13-5-3-2-4-6-13)17-9-14-18-15(19-21-14)12-7-8-22-10-12/h2-8,10,17,20H,9,11H2,1H3/t16-/m0/s1
InChIKeyIMIUFQJIYHQLRI-INIZCTEOSA-N
XLogP2.80
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-phenyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol with MolForge

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Related Compounds

2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 47431933
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine
CID 51252522
(2S)-1,1,1-trifluoro-2-phenyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 129433214
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 47429780
methyl 4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzoate
CID 17453489
1-[(3-bromo-2-pyridinyl)oxy]-2-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 75398036
1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride
CID 119947853
(2R)-1-phenoxy-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
CID 95264639
N-ethyl-3,3-dimethyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348436
5-bromo-2-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 47313618
2-chloro-4-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 24674213
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-phenylpropan-1-ol
CID 113234125

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol?
The IUPAC name of (2R)-2-phenyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol (CID 95306671) is (2R)-2-phenyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-phenyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-phenyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol is C[C@@](CO)(NCc1nc(-c2ccsc2)no1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol?
The InChIKey is IMIUFQJIYHQLRI-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-16(11-20,13-5-3-2-4-6-13)17-9-14-18-15(19-21-14)12-7-8-22-10-12/h2-8,10,17,20H,9,11H2,1H3/t16-/m0/s1.
What are the key properties of (2R)-2-phenyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol?
(2R)-2-phenyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol has a molecular weight of 315.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol is sourced from PubChem (CID 95306671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).