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

C17H23N3O — CID 65403053

IUPAC2-methyl-N-[2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
SMILESCc1ccccc1NCCc1nc(C2CCC(C)C2)no1
InChIInChI=1S/C17H23N3O/c1-12-7-8-14(11-12)17-19-16(21-20-17)9-10-18-15-6-4-3-5-13(15)2/h3-6,12,14,18H,7-11H2,1-2H3
InChIKeyIYXAARFMAWPZGS-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.94
Rot. Bonds5

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

2-methyl-N-[2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline (PubChem CID 65403053) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-N-[2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
PubChem CID65403053
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-methyl-N-[2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
SMILESCc1ccccc1NCCc1nc(C2CCC(C)C2)no1
InChIInChI=1S/C17H23N3O/c1-12-7-8-14(11-12)17-19-16(21-20-17)9-10-18-15-6-4-3-5-13(15)2/h3-6,12,14,18H,7-11H2,1-2H3
InChIKeyIYXAARFMAWPZGS-UHFFFAOYSA-N
XLogP3.94
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
The IUPAC name of 2-methyl-N-[2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline (CID 65403053) is 2-methyl-N-[2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline.
What is the SMILES notation for 2-methyl-N-[2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
The canonical SMILES for 2-methyl-N-[2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline is Cc1ccccc1NCCc1nc(C2CCC(C)C2)no1.
What is the InChIKey of 2-methyl-N-[2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
The InChIKey is IYXAARFMAWPZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-7-8-14(11-12)17-19-16(21-20-17)9-10-18-15-6-4-3-5-13(15)2/h3-6,12,14,18H,7-11H2,1-2H3.
What are the key properties of 2-methyl-N-[2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
2-methyl-N-[2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline has a molecular weight of 285.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline is sourced from PubChem (CID 65403053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).