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

C19H20ClN3O2 — CID 51202900

IUPAC4-chloro-2-methoxy-5-methyl-N-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
SMILESCOc1cc(Cl)c(C)cc1NC(C)c1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C19H20ClN3O2/c1-11-5-7-14(8-6-11)19-23-22-18(25-19)13(3)21-16-9-12(2)15(20)10-17(16)24-4/h5-10,13,21H,1-4H3
InChIKeyHUPIUYKYBFOWLH-UHFFFAOYSA-N
MW357.84 g/mol
LogP5.19
Rot. Bonds5

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

4-chloro-2-methoxy-5-methyl-N-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline (PubChem CID 51202900) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 4-chloro-2-methoxy-5-methyl-N-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline.

Molecular Properties

Compound Name4-chloro-2-methoxy-5-methyl-N-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
PubChem CID51202900
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name4-chloro-2-methoxy-5-methyl-N-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
SMILESCOc1cc(Cl)c(C)cc1NC(C)c1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C19H20ClN3O2/c1-11-5-7-14(8-6-11)19-23-22-18(25-19)13(3)21-16-9-12(2)15(20)10-17(16)24-4/h5-10,13,21H,1-4H3
InChIKeyHUPIUYKYBFOWLH-UHFFFAOYSA-N
XLogP5.19
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.84
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
4-chloro-2-methoxy-5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 47155540
4-chloro-N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxy-5-methylaniline
CID 92656892
4-chloro-3-fluoro-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 99583468
4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 43191802
2-[1-(4-chloro-2-methoxy-5-methylanilino)ethyl]-5-methylphenol
CID 43103443
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine
CID 40881264
2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide
CID 60542358
4-methyl-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline
CID 97070639
4-methyl-N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline
CID 97070640
N-[4-methoxy-3-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]phenyl]acetamide
CID 55431879
2-[1-(4-chloro-2-methoxy-5-methylanilino)ethyl]benzene-1,3-diol
CID 107710317

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-5-methyl-N-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline?
The IUPAC name of 4-chloro-2-methoxy-5-methyl-N-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline (CID 51202900) is 4-chloro-2-methoxy-5-methyl-N-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline.
What is the SMILES notation for 4-chloro-2-methoxy-5-methyl-N-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline?
The canonical SMILES for 4-chloro-2-methoxy-5-methyl-N-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline is COc1cc(Cl)c(C)cc1NC(C)c1nnc(-c2ccc(C)cc2)o1.
What is the InChIKey of 4-chloro-2-methoxy-5-methyl-N-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline?
The InChIKey is HUPIUYKYBFOWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-11-5-7-14(8-6-11)19-23-22-18(25-19)13(3)21-16-9-12(2)15(20)10-17(16)24-4/h5-10,13,21H,1-4H3.
What are the key properties of 4-chloro-2-methoxy-5-methyl-N-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline?
4-chloro-2-methoxy-5-methyl-N-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline has a molecular weight of 357.84 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-5-methyl-N-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline is sourced from PubChem (CID 51202900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).