4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-N,N-diethylaniline

C20H20ClN3O — CID 8727097

IUPAC4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=C(\Cl)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C20H20ClN3O/c1-3-24(4-2)17-12-10-15(11-13-17)14-18(21)20-23-22-19(25-20)16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3/b18-14-
InChIKeyUIQUQDZSEMQKTI-JXAWBTAJSA-N
MW353.85 g/mol
LogP5.32
Rot. Bonds6

About 4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-N,N-diethylaniline

4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-N,N-diethylaniline (PubChem CID 8727097) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-N,N-diethylaniline
PubChem CID8727097
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=C(\Cl)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C20H20ClN3O/c1-3-24(4-2)17-12-10-15(11-13-17)14-18(21)20-23-22-19(25-20)16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3/b18-14-
InChIKeyUIQUQDZSEMQKTI-JXAWBTAJSA-N
XLogP5.32
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.85
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-1-chloro-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole
CID 9447328
2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole
CID 9447353
2-[4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-2-methoxyphenoxy]acetonitrile
CID 9447355
N,N-diethyl-5-phenyl-1,3,4-oxadiazol-2-amine
CID 24304
N-ethyl-N,5-diphenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390946
2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 9031723
4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine
CID 110653777
4-[(Z)-2-chloro-2-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethenyl]benzoic acid
CID 9040934
4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline
CID 59935150
4-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-N,N-diethylaniline
CID 134920855
2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-phenylethenyl]-1,3,4-oxadiazole
CID 9042291
2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 9031554

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-N,N-diethylaniline?
The IUPAC name of 4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-N,N-diethylaniline (CID 8727097) is 4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-N,N-diethylaniline is CCN(CC)c1ccc(/C=C(\Cl)c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-N,N-diethylaniline?
The InChIKey is UIQUQDZSEMQKTI-JXAWBTAJSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-3-24(4-2)17-12-10-15(11-13-17)14-18(21)20-23-22-19(25-20)16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3/b18-14-.
What are the key properties of 4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-N,N-diethylaniline?
4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-N,N-diethylaniline has a molecular weight of 353.85 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-N,N-diethylaniline is sourced from PubChem (CID 8727097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).