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

C16H17N3O3S — CID 95264639

IUPAC(2R)-1-phenoxy-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
SMILESO[C@H](CNCc1nc(-c2ccsc2)no1)COc1ccccc1
InChIInChI=1S/C16H17N3O3S/c20-13(10-21-14-4-2-1-3-5-14)8-17-9-15-18-16(19-22-15)12-6-7-23-11-12/h1-7,11,13,17,20H,8-10H2/t13-/m1/s1
InChIKeyIQOWJNABHNPZBM-CYBMUJFWSA-N
MW331.40 g/mol
LogP2.33
Rot. Bonds8

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

(2R)-1-phenoxy-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol (PubChem CID 95264639) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is (2R)-1-phenoxy-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-phenoxy-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
PubChem CID95264639
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name(2R)-1-phenoxy-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
SMILESO[C@H](CNCc1nc(-c2ccsc2)no1)COc1ccccc1
InChIInChI=1S/C16H17N3O3S/c20-13(10-21-14-4-2-1-3-5-14)8-17-9-15-18-16(19-22-15)12-6-7-23-11-12/h1-7,11,13,17,20H,8-10H2/t13-/m1/s1
InChIKeyIQOWJNABHNPZBM-CYBMUJFWSA-N
XLogP2.33
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride
CID 119947853
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine
CID 51252522
(2R)-2-phenyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol
CID 95306671
4-methyl-6-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]hexanoic acid
CID 65289700
4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 54908982
4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 32758594
2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43214779
methyl 4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzoate
CID 17453489
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-3-phenoxypropyl)propanamide
CID 42959726
1-phenyl-2-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43627790
2-cyclopropyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
CID 55107388

Frequently Asked Questions

What is the IUPAC name of (2R)-1-phenoxy-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol?
The IUPAC name of (2R)-1-phenoxy-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol (CID 95264639) is (2R)-1-phenoxy-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-phenoxy-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-phenoxy-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol is O[C@H](CNCc1nc(-c2ccsc2)no1)COc1ccccc1.
What is the InChIKey of (2R)-1-phenoxy-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol?
The InChIKey is IQOWJNABHNPZBM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-13(10-21-14-4-2-1-3-5-14)8-17-9-15-18-16(19-22-15)12-6-7-23-11-12/h1-7,11,13,17,20H,8-10H2/t13-/m1/s1.
What are the key properties of (2R)-1-phenoxy-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol?
(2R)-1-phenoxy-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol has a molecular weight of 331.40 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-phenoxy-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol is sourced from PubChem (CID 95264639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).