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

C16H13Cl2N3O — CID 110653804

IUPAC2,5-dichloro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
SMILESClc1ccc(Cl)c(NCCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C16H13Cl2N3O/c17-12-6-7-13(18)14(10-12)19-9-8-15-20-21-16(22-15)11-4-2-1-3-5-11/h1-7,10,19H,8-9H2
InChIKeyVRJITEFGJXHZCU-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.70
Rot. Bonds5

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

2,5-dichloro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline (PubChem CID 110653804) has the molecular formula C16H13Cl2N3O and a molecular weight of 334.21 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
PubChem CID110653804
Molecular FormulaC16H13Cl2N3O
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2,5-dichloro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
SMILESClc1ccc(Cl)c(NCCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C16H13Cl2N3O/c17-12-6-7-13(18)14(10-12)19-9-8-15-20-21-16(22-15)11-4-2-1-3-5-11/h1-7,10,19H,8-9H2
InChIKeyVRJITEFGJXHZCU-UHFFFAOYSA-N
XLogP4.70
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 110651658
2,6-dichloro-4-nitro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 133485097
1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110320476
2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole
CID 67612049
4-chloro-3-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 62132332
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
5-bromo-4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pyridin-2-amine
CID 133403761
4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 110653733
N-[2-(4-chlorophenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 17423614
2,4-dichloro-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652386
2-[2-(3-chlorophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110656035
6-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133494020

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline?
The IUPAC name of 2,5-dichloro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline (CID 110653804) is 2,5-dichloro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2,5-dichloro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline?
The canonical SMILES for 2,5-dichloro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline is Clc1ccc(Cl)c(NCCc2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 2,5-dichloro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline?
The InChIKey is VRJITEFGJXHZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O/c17-12-6-7-13(18)14(10-12)19-9-8-15-20-21-16(22-15)11-4-2-1-3-5-11/h1-7,10,19H,8-9H2.
What are the key properties of 2,5-dichloro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline?
2,5-dichloro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline has a molecular weight of 334.21 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 110653804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).