N-[[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine

C10H11Cl2N3OS — CID 114021751

IUPACN-[[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1noc(-c2cc(Cl)sc2Cl)n1
InChIInChI=1S/C10H11Cl2N3OS/c1-5(2)13-4-8-14-10(16-15-8)6-3-7(11)17-9(6)12/h3,5,13H,4H2,1-2H3
InChIKeyUSICXRQNKPXNSQ-UHFFFAOYSA-N
MW292.19 g/mol
LogP3.60
Rot. Bonds4

About N-[[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine

N-[[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine (PubChem CID 114021751) has the molecular formula C10H11Cl2N3OS and a molecular weight of 292.19 g/mol. Its IUPAC name is N-[[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
PubChem CID114021751
Molecular FormulaC10H11Cl2N3OS
Molecular Weight292.19 g/mol
Exact Mass291.00
IUPAC NameN-[[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1noc(-c2cc(Cl)sc2Cl)n1
InChIInChI=1S/C10H11Cl2N3OS/c1-5(2)13-4-8-14-10(16-15-8)6-3-7(11)17-9(6)12/h3,5,13H,4H2,1-2H3
InChIKeyUSICXRQNKPXNSQ-UHFFFAOYSA-N
XLogP3.60
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.19
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-(2-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 79205628
N-[[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 107992758
N-[[5-(3,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 114022908
N-[[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 55065816
N-[[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 63023761
N-[[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62342561
N-[[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 107974454
N-[[5-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62344160
N-[[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 66126507
1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 107965441
N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62343759
N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62343565

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine (CID 114021751) is N-[[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine is CC(C)NCc1noc(-c2cc(Cl)sc2Cl)n1.
What is the InChIKey of N-[[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The InChIKey is USICXRQNKPXNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3OS/c1-5(2)13-4-8-14-10(16-15-8)6-3-7(11)17-9(6)12/h3,5,13H,4H2,1-2H3.
What are the key properties of N-[[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
N-[[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine has a molecular weight of 292.19 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114021751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).