1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C10H13N3OS — CID 62653412

IUPAC1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCc1ccc(-c2nc(CC(C)N)no2)s1
InChIInChI=1S/C10H13N3OS/c1-6(11)5-9-12-10(14-13-9)8-4-3-7(2)15-8/h3-4,6H,5,11H2,1-2H3
InChIKeySMLFJVKXKJLEFP-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.00
Rot. Bonds3

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

1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 62653412) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID62653412
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCc1ccc(-c2nc(CC(C)N)no2)s1
InChIInChI=1S/C10H13N3OS/c1-6(11)5-9-12-10(14-13-9)8-4-3-7(2)15-8/h3-4,6H,5,11H2,1-2H3
InChIKeySMLFJVKXKJLEFP-UHFFFAOYSA-N
XLogP2.00
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61325615
1-[5-(5-bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62651224
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107965393
(2R)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 18656698
1-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62651230
1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62660245
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 55101679
1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63190077
5-[3-(2-aminopropyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
CID 136812636
1-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62653408
1-[5-[5-(4-fluorophenyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866174
1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63744389

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 62653412) is 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is Cc1ccc(-c2nc(CC(C)N)no2)s1.
What is the InChIKey of 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is SMLFJVKXKJLEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-6(11)5-9-12-10(14-13-9)8-4-3-7(2)15-8/h3-4,6H,5,11H2,1-2H3.
What are the key properties of 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 223.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 62653412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).