(1R)-1-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine

C13H18N4O2S — CID 104909543

IUPAC(1R)-1-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
SMILESCOc1ccc(Cc2noc([C@H](N)CCSC)n2)cn1
InChIInChI=1S/C13H18N4O2S/c1-18-12-4-3-9(8-15-12)7-11-16-13(19-17-11)10(14)5-6-20-2/h3-4,8,10H,5-7,14H2,1-2H3/t10-/m1/s1
InChIKeyDEXZUUWIDKYSOT-SNVBAGLBSA-N
MW294.38 g/mol
LogP1.82
Rot. Bonds7

About (1R)-1-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine

(1R)-1-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine (PubChem CID 104909543) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is (1R)-1-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
PubChem CID104909543
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name(1R)-1-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
SMILESCOc1ccc(Cc2noc([C@H](N)CCSC)n2)cn1
InChIInChI=1S/C13H18N4O2S/c1-18-12-4-3-9(8-15-12)7-11-16-13(19-17-11)10(14)5-6-20-2/h3-4,8,10H,5-7,14H2,1-2H3/t10-/m1/s1
InChIKeyDEXZUUWIDKYSOT-SNVBAGLBSA-N
XLogP1.82
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R)-1-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565463
1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 43103025
(1R)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 93259654
4-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685926
3-methylsulfanyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 55079446
3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43670404
1-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 43452599
4-[[5-(1-amino-3-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 55076144
1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine
CID 79405955
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 106814787
1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 115345398
1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine
CID 62901123

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of (1R)-1-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine (CID 104909543) is (1R)-1-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for (1R)-1-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for (1R)-1-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine is COc1ccc(Cc2noc([C@H](N)CCSC)n2)cn1.
What is the InChIKey of (1R)-1-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine?
The InChIKey is DEXZUUWIDKYSOT-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-18-12-4-3-9(8-15-12)7-11-16-13(19-17-11)10(14)5-6-20-2/h3-4,8,10H,5-7,14H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine?
(1R)-1-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine has a molecular weight of 294.38 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 104909543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).