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

C12H17N3O2S — CID 81124831

IUPACN-[[5-(4-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1csc(-c2nnc(CNC(C)(C)C)o2)c1
InChIInChI=1S/C12H17N3O2S/c1-12(2,3)13-6-10-14-15-11(17-10)9-5-8(16-4)7-18-9/h5,7,13H,6H2,1-4H3
InChIKeyPEZHPFSRIBKOSV-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.69
Rot. Bonds4

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

N-[[5-(4-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 81124831) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[[5-(4-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(4-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID81124831
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-[[5-(4-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1csc(-c2nnc(CNC(C)(C)C)o2)c1
InChIInChI=1S/C12H17N3O2S/c1-12(2,3)13-6-10-14-15-11(17-10)9-5-8(16-4)7-18-9/h5,7,13H,6H2,1-4H3
InChIKeyPEZHPFSRIBKOSV-UHFFFAOYSA-N
XLogP2.69
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(4-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine (CID 81124831) is N-[[5-(4-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(4-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(4-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine is COc1csc(-c2nnc(CNC(C)(C)C)o2)c1.
What is the InChIKey of N-[[5-(4-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is PEZHPFSRIBKOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-12(2,3)13-6-10-14-15-11(17-10)9-5-8(16-4)7-18-9/h5,7,13H,6H2,1-4H3.
What are the key properties of N-[[5-(4-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(4-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 267.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81124831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).