phenyl-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine

C14H13N3OS — CID 62071471

IUPACphenyl-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNC(c1ccccc1)c1nnc(Cc2cccs2)o1
InChIInChI=1S/C14H13N3OS/c15-13(10-5-2-1-3-6-10)14-17-16-12(18-14)9-11-7-4-8-19-11/h1-8,13H,9,15H2
InChIKeyGTCMPOYKZVLZIK-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.77
Rot. Bonds4

About phenyl-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine

phenyl-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 62071471) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is phenyl-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Namephenyl-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID62071471
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Namephenyl-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNC(c1ccccc1)c1nnc(Cc2cccs2)o1
InChIInChI=1S/C14H13N3OS/c15-13(10-5-2-1-3-6-10)14-17-16-12(18-14)9-11-7-4-8-19-11/h1-8,13H,9,15H2
InChIKeyGTCMPOYKZVLZIK-UHFFFAOYSA-N
XLogP2.77
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of phenyl-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 62071471) is phenyl-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for phenyl-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for phenyl-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine is NC(c1ccccc1)c1nnc(Cc2cccs2)o1.
What is the InChIKey of phenyl-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is GTCMPOYKZVLZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c15-13(10-5-2-1-3-6-10)14-17-16-12(18-14)9-11-7-4-8-19-11/h1-8,13H,9,15H2.
What are the key properties of phenyl-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine?
phenyl-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 271.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 62071471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).