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

C18H23N5O2S — CID 60546957

IUPACN,N-diethyl-4-[5-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]aniline
SMILESCCc1noc(C(C)Sc2nnc(-c3ccc(N(CC)CC)cc3)o2)n1
InChIInChI=1S/C18H23N5O2S/c1-5-15-19-16(25-22-15)12(4)26-18-21-20-17(24-18)13-8-10-14(11-9-13)23(6-2)7-3/h8-12H,5-7H2,1-4H3
InChIKeyFVYZZEHLIHCHGL-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.38
Rot. Bonds8

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

N,N-diethyl-4-[5-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]aniline (PubChem CID 60546957) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N,N-diethyl-4-[5-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[5-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]aniline
PubChem CID60546957
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC NameN,N-diethyl-4-[5-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]aniline
SMILESCCc1noc(C(C)Sc2nnc(-c3ccc(N(CC)CC)cc3)o2)n1
InChIInChI=1S/C18H23N5O2S/c1-5-15-19-16(25-22-15)12(4)26-18-21-20-17(24-18)13-8-10-14(11-9-13)23(6-2)7-3/h8-12H,5-7H2,1-4H3
InChIKeyFVYZZEHLIHCHGL-UHFFFAOYSA-N
XLogP4.38
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[5-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]aniline?
The IUPAC name of N,N-diethyl-4-[5-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]aniline (CID 60546957) is N,N-diethyl-4-[5-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]aniline.
What is the SMILES notation for N,N-diethyl-4-[5-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]aniline?
The canonical SMILES for N,N-diethyl-4-[5-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]aniline is CCc1noc(C(C)Sc2nnc(-c3ccc(N(CC)CC)cc3)o2)n1.
What is the InChIKey of N,N-diethyl-4-[5-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]aniline?
The InChIKey is FVYZZEHLIHCHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-5-15-19-16(25-22-15)12(4)26-18-21-20-17(24-18)13-8-10-14(11-9-13)23(6-2)7-3/h8-12H,5-7H2,1-4H3.
What are the key properties of N,N-diethyl-4-[5-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]aniline?
N,N-diethyl-4-[5-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]aniline has a molecular weight of 373.48 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[5-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]aniline is sourced from PubChem (CID 60546957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).