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

C16H17N3OS — CID 62345905

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCCc1ccc(CNc2ccc(-c3nnco3)cc2C)s1
InChIInChI=1S/C16H17N3OS/c1-3-13-5-6-14(21-13)9-17-15-7-4-12(8-11(15)2)16-19-18-10-20-16/h4-8,10,17H,3,9H2,1-2H3
InChIKeyPWTFSGJFRIMZRD-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.28
Rot. Bonds5

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

N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 62345905) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID62345905
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCCc1ccc(CNc2ccc(-c3nnco3)cc2C)s1
InChIInChI=1S/C16H17N3OS/c1-3-13-5-6-14(21-13)9-17-15-7-4-12(8-11(15)2)16-19-18-10-20-16/h4-8,10,17H,3,9H2,1-2H3
InChIKeyPWTFSGJFRIMZRD-UHFFFAOYSA-N
XLogP4.28
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43735583
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
N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
CID 66134835
2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 62741551
N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide
CID 64585706
N-[(5-ethylthiophen-2-yl)methyl]-4-iodo-2-methylaniline
CID 63440748
N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701914
2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43735645
2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63681213

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline (CID 62345905) is N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline is CCc1ccc(CNc2ccc(-c3nnco3)cc2C)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is PWTFSGJFRIMZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-3-13-5-6-14(21-13)9-17-15-7-4-12(8-11(15)2)16-19-18-10-20-16/h4-8,10,17H,3,9H2,1-2H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline?
N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 299.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 62345905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).