N-[(1R)-1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-(methoxymethyl)aniline

C20H23N3O2 — CID 99602597

IUPACN-[(1R)-1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1N[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1
InChIInChI=1S/C20H23N3O2/c1-13-9-10-16(11-14(13)2)20-23-22-19(25-20)15(3)21-18-8-6-5-7-17(18)12-24-4/h5-11,15,21H,12H2,1-4H3/t15-/m1/s1
InChIKeyLKIXYQFHMDIAPF-OAHLLOKOSA-N
MW337.42 g/mol
LogP4.67
Rot. Bonds6

About N-[(1R)-1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-(methoxymethyl)aniline

N-[(1R)-1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-(methoxymethyl)aniline (PubChem CID 99602597) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(1R)-1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[(1R)-1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-(methoxymethyl)aniline
PubChem CID99602597
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[(1R)-1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1N[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1
InChIInChI=1S/C20H23N3O2/c1-13-9-10-16(11-14(13)2)20-23-22-19(25-20)15(3)21-18-8-6-5-7-17(18)12-24-4/h5-11,15,21H,12H2,1-4H3/t15-/m1/s1
InChIKeyLKIXYQFHMDIAPF-OAHLLOKOSA-N
XLogP4.67
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-(methoxymethyl)aniline with MolForge

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Related Compounds

2-methoxy-5-methyl-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 40940269
2-[(1R)-1-chloroethyl]-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 86314511
4-chloro-2-methoxy-5-methyl-N-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 51202900
2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757127
1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857467
2-(1-bromopropyl)-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 62856515
1-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 63195183
2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline
CID 43677982
5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid
CID 103247181
N-[1-[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 81284443
N-[1-[5-(3-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62921410
2-(3,4-dimethylphenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7629590

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-(methoxymethyl)aniline?
The IUPAC name of N-[(1R)-1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-(methoxymethyl)aniline (CID 99602597) is N-[(1R)-1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-(methoxymethyl)aniline.
What is the SMILES notation for N-[(1R)-1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-(methoxymethyl)aniline?
The canonical SMILES for N-[(1R)-1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-(methoxymethyl)aniline is COCc1ccccc1N[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1.
What is the InChIKey of N-[(1R)-1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-(methoxymethyl)aniline?
The InChIKey is LKIXYQFHMDIAPF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-9-10-16(11-14(13)2)20-23-22-19(25-20)15(3)21-18-8-6-5-7-17(18)12-24-4/h5-11,15,21H,12H2,1-4H3/t15-/m1/s1.
What are the key properties of N-[(1R)-1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-(methoxymethyl)aniline?
N-[(1R)-1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-(methoxymethyl)aniline has a molecular weight of 337.42 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-(methoxymethyl)aniline is sourced from PubChem (CID 99602597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).