(2R)-1-[N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol

C19H21N3O2 — CID 94817190

IUPAC(2R)-1-[N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol
SMILESC[C@@H](O)CN(Cc1nc(Cc2ccccc2)no1)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-15(23)13-22(17-10-6-3-7-11-17)14-19-20-18(21-24-19)12-16-8-4-2-5-9-16/h2-11,15,23H,12-14H2,1H3/t15-/m1/s1
InChIKeyJFMBWDDIQMDWLA-OAHLLOKOSA-N
MW323.40 g/mol
LogP3.05
Rot. Bonds7

About (2R)-1-[N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol

(2R)-1-[N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol (PubChem CID 94817190) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (2R)-1-[N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol
PubChem CID94817190
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(2R)-1-[N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol
SMILESC[C@@H](O)CN(Cc1nc(Cc2ccccc2)no1)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-15(23)13-22(17-10-6-3-7-11-17)14-19-20-18(21-24-19)12-16-8-4-2-5-9-16/h2-11,15,23H,12-14H2,1H3/t15-/m1/s1
InChIKeyJFMBWDDIQMDWLA-OAHLLOKOSA-N
XLogP3.05
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol with MolForge

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Related Compounds

2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid;hydrochloride
CID 119912606
1-[N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]propan-2-ol
CID 51106357
1-[N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol
CID 51106348
methyl (2S)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate
CID 94178799
1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol
CID 115078804
N,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine
CID 71866216
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylnaphthalen-1-amine
CID 60572803
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine
CID 43663072
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid
CID 43471044
3-[N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-1-ol
CID 111860036
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide
CID 61464371
2-[[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119913158

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol?
The IUPAC name of (2R)-1-[N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol (CID 94817190) is (2R)-1-[N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol.
What is the SMILES notation for (2R)-1-[N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol?
The canonical SMILES for (2R)-1-[N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol is C[C@@H](O)CN(Cc1nc(Cc2ccccc2)no1)c1ccccc1.
What is the InChIKey of (2R)-1-[N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol?
The InChIKey is JFMBWDDIQMDWLA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-15(23)13-22(17-10-6-3-7-11-17)14-19-20-18(21-24-19)12-16-8-4-2-5-9-16/h2-11,15,23H,12-14H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-1-[N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol?
(2R)-1-[N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol has a molecular weight of 323.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol is sourced from PubChem (CID 94817190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).