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

C16H17N3OS — CID 63992639

IUPAC2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCc1nnc(-c2ccccc2NC(C)c2sccc2C)o1
InChIInChI=1S/C16H17N3OS/c1-10-8-9-21-15(10)11(2)17-14-7-5-4-6-13(14)16-19-18-12(3)20-16/h4-9,11,17H,1-3H3
InChIKeyXPVWSDDJYQFXNG-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.59
Rot. Bonds4

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

2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline (PubChem CID 63992639) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
PubChem CID63992639
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCc1nnc(-c2ccccc2NC(C)c2sccc2C)o1
InChIInChI=1S/C16H17N3OS/c1-10-8-9-21-15(10)11(2)17-14-7-5-4-6-13(14)16-19-18-12(3)20-16/h4-9,11,17H,1-3H3
InChIKeyXPVWSDDJYQFXNG-UHFFFAOYSA-N
XLogP4.59
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-methylcyclopropyl)ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 43675505
N-(2-methylbutyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 43675457
methyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate
CID 63991837
2-(difluoromethylsulfonyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63991471
N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine
CID 63991411
N-[1-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine
CID 115916926
N-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline
CID 63992655
2-(2-methoxyethyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 102848964
N-[1-(3-methylthiophen-2-yl)ethyl]-2-prop-2-enylsulfanylaniline
CID 63993459
N-[(4-chlorothiophen-2-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 115278446
1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
CID 63666407
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thian-4-amine
CID 43675543

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline (CID 63992639) is 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The canonical SMILES for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline is Cc1nnc(-c2ccccc2NC(C)c2sccc2C)o1.
What is the InChIKey of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The InChIKey is XPVWSDDJYQFXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-10-8-9-21-15(10)11(2)17-14-7-5-4-6-13(14)16-19-18-12(3)20-16/h4-9,11,17H,1-3H3.
What are the key properties of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline has a molecular weight of 299.40 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 63992639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).