2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)aniline

C14H13N3OS — CID 43678210

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)aniline
SMILESCc1noc(-c2ccccc2NCc2cccs2)n1
InChIInChI=1S/C14H13N3OS/c1-10-16-14(18-17-10)12-6-2-3-7-13(12)15-9-11-5-4-8-19-11/h2-8,15H,9H2,1H3
InChIKeyKMPOUGNXRWFQKU-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.72
Rot. Bonds4

About 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)aniline

2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)aniline (PubChem CID 43678210) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)aniline
PubChem CID43678210
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)aniline
SMILESCc1noc(-c2ccccc2NCc2cccs2)n1
InChIInChI=1S/C14H13N3OS/c1-10-16-14(18-17-10)12-6-2-3-7-13(12)15-9-11-5-4-8-19-11/h2-8,15H,9H2,1H3
InChIKeyKMPOUGNXRWFQKU-UHFFFAOYSA-N
XLogP3.72
TPSA50.95 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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)aniline (CID 43678210) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)aniline is Cc1noc(-c2ccccc2NCc2cccs2)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is KMPOUGNXRWFQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-10-16-14(18-17-10)12-6-2-3-7-13(12)15-9-11-5-4-8-19-11/h2-8,15H,9H2,1H3.
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)aniline?
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 271.35 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 43678210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).