3-[(Z)-2-chloro-2-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethenyl]phenol

C20H14ClN3O3 — CID 9040965

IUPAC3-[(Z)-2-chloro-2-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethenyl]phenol
SMILESCc1onc(-c2ccccc2)c1-c1nnc(/C(Cl)=C/c2cccc(O)c2)o1
InChIInChI=1S/C20H14ClN3O3/c1-12-17(18(24-27-12)14-7-3-2-4-8-14)20-23-22-19(26-20)16(21)11-13-6-5-9-15(25)10-13/h2-11,25H,1H3/b16-11-
InChIKeyWNTPFGQJUKYLPW-WJDWOHSUSA-N
MW379.80 g/mol
LogP5.14
Rot. Bonds4

About 3-[(Z)-2-chloro-2-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethenyl]phenol

3-[(Z)-2-chloro-2-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethenyl]phenol (PubChem CID 9040965) has the molecular formula C20H14ClN3O3 and a molecular weight of 379.80 g/mol. Its IUPAC name is 3-[(Z)-2-chloro-2-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethenyl]phenol.

Molecular Properties

Compound Name3-[(Z)-2-chloro-2-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethenyl]phenol
PubChem CID9040965
Molecular FormulaC20H14ClN3O3
Molecular Weight379.80 g/mol
Exact Mass379.07
IUPAC Name3-[(Z)-2-chloro-2-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethenyl]phenol
SMILESCc1onc(-c2ccccc2)c1-c1nnc(/C(Cl)=C/c2cccc(O)c2)o1
InChIInChI=1S/C20H14ClN3O3/c1-12-17(18(24-27-12)14-7-3-2-4-8-14)20-23-22-19(26-20)16(21)11-13-6-5-9-15(25)10-13/h2-11,25H,1H3/b16-11-
InChIKeyWNTPFGQJUKYLPW-WJDWOHSUSA-N
XLogP5.14
TPSA85.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.80
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl acetate
CID 29170255
3-[(Z)-2-chloro-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol
CID 9041121
2-[(2-iodophenoxy)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 38879265
[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl 2-amino-3,5-dichlorobenzoate
CID 16569419
3-[(Z)-2-chloro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol
CID 9036620
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
[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl 2-acetamido-4,5-dimethoxybenzoate
CID 55366183
4-[3-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine
CID 16722906
2-[4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-2-methoxyphenoxy]acetonitrile
CID 9447355
2-[2-fluoro-5-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]anilino]ethanol
CID 67215096

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-chloro-2-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethenyl]phenol?
The IUPAC name of 3-[(Z)-2-chloro-2-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethenyl]phenol (CID 9040965) is 3-[(Z)-2-chloro-2-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethenyl]phenol.
What is the SMILES notation for 3-[(Z)-2-chloro-2-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethenyl]phenol?
The canonical SMILES for 3-[(Z)-2-chloro-2-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethenyl]phenol is Cc1onc(-c2ccccc2)c1-c1nnc(/C(Cl)=C/c2cccc(O)c2)o1.
What is the InChIKey of 3-[(Z)-2-chloro-2-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethenyl]phenol?
The InChIKey is WNTPFGQJUKYLPW-WJDWOHSUSA-N. The full InChI is InChI=1S/C20H14ClN3O3/c1-12-17(18(24-27-12)14-7-3-2-4-8-14)20-23-22-19(26-20)16(21)11-13-6-5-9-15(25)10-13/h2-11,25H,1H3/b16-11-.
What are the key properties of 3-[(Z)-2-chloro-2-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethenyl]phenol?
3-[(Z)-2-chloro-2-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethenyl]phenol has a molecular weight of 379.80 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-chloro-2-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethenyl]phenol is sourced from PubChem (CID 9040965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).