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

C11H13Cl2N3OS — CID 114021767

IUPACN-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nnc(-c2cc(Cl)sc2Cl)o1
InChIInChI=1S/C11H13Cl2N3OS/c1-11(2,3)14-5-8-15-16-10(17-8)6-4-7(12)18-9(6)13/h4,14H,5H2,1-3H3
InChIKeyGZIOSNOLQYMBNP-UHFFFAOYSA-N
MW306.22 g/mol
LogP3.99
Rot. Bonds3

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

N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 114021767) has the molecular formula C11H13Cl2N3OS and a molecular weight of 306.22 g/mol. Its IUPAC name is N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID114021767
Molecular FormulaC11H13Cl2N3OS
Molecular Weight306.22 g/mol
Exact Mass305.02
IUPAC NameN-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nnc(-c2cc(Cl)sc2Cl)o1
InChIInChI=1S/C11H13Cl2N3OS/c1-11(2,3)14-5-8-15-16-10(17-8)6-4-7(12)18-9(6)13/h4,14H,5H2,1-3H3
InChIKeyGZIOSNOLQYMBNP-UHFFFAOYSA-N
XLogP3.99
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62137964
N-[[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62137776
N-[[5-(2,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 114375442
N-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62138147
2-methyl-N-[[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 63022370
N-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62138524
N-[[5-(4-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 81124831
N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 62162780
N-[2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 106689625
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43972843
N-[[5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62137598
N-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 62162492

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine (CID 114021767) is N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1nnc(-c2cc(Cl)sc2Cl)o1.
What is the InChIKey of N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is GZIOSNOLQYMBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3OS/c1-11(2,3)14-5-8-15-16-10(17-8)6-4-7(12)18-9(6)13/h4,14H,5H2,1-3H3.
What are the key properties of N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 306.22 g/mol, XLogP of 3.99, 3 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)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114021767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).