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

C21H23N3O4 — CID 134149423

IUPACN-[1-[3-[4-(4-propoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCCCOc1ccc(Oc2ccc(-c3noc(C(C)NC(C)=O)n3)cc2)cc1
InChIInChI=1S/C21H23N3O4/c1-4-13-26-17-9-11-19(12-10-17)27-18-7-5-16(6-8-18)20-23-21(28-24-20)14(2)22-15(3)25/h5-12,14H,4,13H2,1-3H3,(H,22,25)
InChIKeyJMGQAHWBPUBJOI-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.51
Rot. Bonds8

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

N-[1-[3-[4-(4-propoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide (PubChem CID 134149423) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[1-[3-[4-(4-propoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[4-(4-propoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide
PubChem CID134149423
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[1-[3-[4-(4-propoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCCCOc1ccc(Oc2ccc(-c3noc(C(C)NC(C)=O)n3)cc2)cc1
InChIInChI=1S/C21H23N3O4/c1-4-13-26-17-9-11-19(12-10-17)27-18-7-5-16(6-8-18)20-23-21(28-24-20)14(2)22-15(3)25/h5-12,14H,4,13H2,1-3H3,(H,22,25)
InChIKeyJMGQAHWBPUBJOI-UHFFFAOYSA-N
XLogP4.51
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 2215326
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CID 2987737
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CID 2992442
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CID 16475480
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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[4-(4-propoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[1-[3-[4-(4-propoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide (CID 134149423) is N-[1-[3-[4-(4-propoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[3-[4-(4-propoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[3-[4-(4-propoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide is CCCOc1ccc(Oc2ccc(-c3noc(C(C)NC(C)=O)n3)cc2)cc1.
What is the InChIKey of N-[1-[3-[4-(4-propoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The InChIKey is JMGQAHWBPUBJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-4-13-26-17-9-11-19(12-10-17)27-18-7-5-16(6-8-18)20-23-21(28-24-20)14(2)22-15(3)25/h5-12,14H,4,13H2,1-3H3,(H,22,25).
What are the key properties of N-[1-[3-[4-(4-propoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
N-[1-[3-[4-(4-propoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide has a molecular weight of 381.43 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[4-(4-propoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 134149423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).