2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline

C15H15N3OS — CID 43735583

IUPAC2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1ccc(CNc2ccc(-c3nnco3)cc2C)s1
InChIInChI=1S/C15H15N3OS/c1-10-7-12(15-18-17-9-19-15)4-6-14(10)16-8-13-5-3-11(2)20-13/h3-7,9,16H,8H2,1-2H3
InChIKeyCLGDXKLWHJXQGQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.03
Rot. Bonds4

About 2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline

2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 43735583) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID43735583
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1ccc(CNc2ccc(-c3nnco3)cc2C)s1
InChIInChI=1S/C15H15N3OS/c1-10-7-12(15-18-17-9-19-15)4-6-14(10)16-8-13-5-3-11(2)20-13/h3-7,9,16H,8H2,1-2H3
InChIKeyCLGDXKLWHJXQGQ-UHFFFAOYSA-N
XLogP4.03
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
CID 62345905
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43735629
5-[[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophene-2-carbonitrile
CID 115743943
2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)aniline
CID 43735620
2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66410267
2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 62741551
2,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28536769
N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
CID 66134835
N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide
CID 64585706
2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43735645
N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701914
2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiadiazol-4-ylmethyl)aniline
CID 43701909

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline (CID 43735583) is 2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline is Cc1ccc(CNc2ccc(-c3nnco3)cc2C)s1.
What is the InChIKey of 2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is CLGDXKLWHJXQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-7-12(15-18-17-9-19-15)4-6-14(10)16-8-13-5-3-11(2)20-13/h3-7,9,16H,8H2,1-2H3.
What are the key properties of 2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 285.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 43735583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).