N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethyl-6-methylaniline

C18H18ClN3O — CID 110652457

IUPACN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NCc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H18ClN3O/c1-3-13-6-4-5-12(2)17(13)20-11-16-21-22-18(23-16)14-7-9-15(19)10-8-14/h4-10,20H,3,11H2,1-2H3
InChIKeyUUNDQCVGUOIBJP-UHFFFAOYSA-N
MW327.82 g/mol
LogP4.87
Rot. Bonds5

About N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethyl-6-methylaniline

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethyl-6-methylaniline (PubChem CID 110652457) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethyl-6-methylaniline.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethyl-6-methylaniline
PubChem CID110652457
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NCc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H18ClN3O/c1-3-13-6-4-5-12(2)17(13)20-11-16-21-22-18(23-16)14-7-9-15(19)10-8-14/h4-10,20H,3,11H2,1-2H3
InChIKeyUUNDQCVGUOIBJP-UHFFFAOYSA-N
XLogP4.87
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-[(2,6-dimethylanilino)methyl]-1,3,4-oxadiazol-2-yl]phenol
CID 155810761
N-[(5-bromo-1,3,4-oxadiazol-2-yl)methyl]-2-ethyl-6-methylaniline
CID 23462354
2-ethyl-N-[(5-methoxy-1,3,4-oxadiazol-2-yl)methyl]-6-methylaniline
CID 23462284
N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 54798399
2-ethyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110651725
4-chloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 14567182
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4-dimethylaniline
CID 110652448
2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652526
5-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 86058835
2-tert-butyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652461
2-(4-chlorophenyl)-5-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 9256962
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylbenzamide
CID 110319780

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethyl-6-methylaniline?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethyl-6-methylaniline (CID 110652457) is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethyl-6-methylaniline.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethyl-6-methylaniline?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethyl-6-methylaniline is CCc1cccc(C)c1NCc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethyl-6-methylaniline?
The InChIKey is UUNDQCVGUOIBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-3-13-6-4-5-12(2)17(13)20-11-16-21-22-18(23-16)14-7-9-15(19)10-8-14/h4-10,20H,3,11H2,1-2H3.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethyl-6-methylaniline?
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethyl-6-methylaniline has a molecular weight of 327.82 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethyl-6-methylaniline is sourced from PubChem (CID 110652457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).