2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole

C16H13ClN2O2 — CID 866005

IUPAC2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole
SMILESCCOc1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C16H13ClN2O2/c1-2-20-14-9-5-12(6-10-14)16-19-18-15(21-16)11-3-7-13(17)8-4-11/h3-10H,2H2,1H3
InChIKeyWHXMTNSRXNPNCE-UHFFFAOYSA-N
MW300.75 g/mol
LogP4.46
Rot. Bonds4

About 2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole (PubChem CID 866005) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole
PubChem CID866005
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole
SMILESCCOc1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C16H13ClN2O2/c1-2-20-14-9-5-12(6-10-14)16-19-18-15(21-16)11-3-7-13(17)8-4-11/h3-10H,2H2,1H3
InChIKeyWHXMTNSRXNPNCE-UHFFFAOYSA-N
XLogP4.46
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 5121950
4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-ethoxyphenyl)-2H-oxadiazol-3-ium-5-one
CID 42599263
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethoxyphenyl)acetamide
CID 8719964
[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanethiol
CID 82159231
(Z)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-(4-ethoxyphenyl)prop-2-enoate
CID 8705888
1-(4-chlorophenyl)-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide
CID 43975595
2-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55043972
2-(4-decoxyphenyl)-5-[4-[5-(4-decoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 3725956
2-(4-hexadecoxyphenyl)-5-[4-[5-(4-hexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 102166684
2,5-bis(4-octoxyphenyl)-1,3,4-oxadiazole
CID 102447909
5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681816
2-(4-chlorophenyl)-5-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 4527196

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole (CID 866005) is 2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole is CCOc1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is WHXMTNSRXNPNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-2-20-14-9-5-12(6-10-14)16-19-18-15(21-16)11-3-7-13(17)8-4-11/h3-10H,2H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 300.75 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 866005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).