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

C20H21N3O4 — CID 134139597

IUPACN-[1-[3-[4-(4-ethoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCCOc1ccc(Oc2ccc(-c3noc(C(C)NC(C)=O)n3)cc2)cc1
InChIInChI=1S/C20H21N3O4/c1-4-25-16-9-11-18(12-10-16)26-17-7-5-15(6-8-17)19-22-20(27-23-19)13(2)21-14(3)24/h5-13H,4H2,1-3H3,(H,21,24)
InChIKeyYSFYOQBZOGUUIX-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.12
Rot. Bonds7

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

N-[1-[3-[4-(4-ethoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide (PubChem CID 134139597) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[1-[3-[4-(4-ethoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[4-(4-ethoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide
PubChem CID134139597
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[1-[3-[4-(4-ethoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCCOc1ccc(Oc2ccc(-c3noc(C(C)NC(C)=O)n3)cc2)cc1
InChIInChI=1S/C20H21N3O4/c1-4-25-16-9-11-18(12-10-16)26-17-7-5-15(6-8-17)19-22-20(27-23-19)13(2)21-14(3)24/h5-13H,4H2,1-3H3,(H,21,24)
InChIKeyYSFYOQBZOGUUIX-UHFFFAOYSA-N
XLogP4.12
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(R)-2-(4-{3-[4-(5-Cyclopentylmethyl-[1,2,4]oxadiazol-3-yl)-3-fluoro-phenoxy]-propyl}-[1,4]diazepan-1-yl)-1-methyl-2-oxo-ethyl]-3-morpholin-4-yl-propionamide
CID 44373893
N-cyclopentyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 866890
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)propanamide
CID 1839545
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 3159490
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 3710985
2-(3-methoxyphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 6473367
N-cyclopropyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 15992673
N-Isopropyl-N-((3-p-tolyl-1,2,4-oxadiazol-5-yl)methyl)-2-(p-tolyloxy)acetamide
CID 2215326
2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2987737
2-(4-ethylphenoxy)-N-isopropyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 2992442
2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide
CID 16475480
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(4-methylphenoxy)-N-(propan-2-yl)acetamide
CID 16483731

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[4-(4-ethoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[1-[3-[4-(4-ethoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide (CID 134139597) is N-[1-[3-[4-(4-ethoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[3-[4-(4-ethoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[3-[4-(4-ethoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide is CCOc1ccc(Oc2ccc(-c3noc(C(C)NC(C)=O)n3)cc2)cc1.
What is the InChIKey of N-[1-[3-[4-(4-ethoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The InChIKey is YSFYOQBZOGUUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-4-25-16-9-11-18(12-10-16)26-17-7-5-15(6-8-17)19-22-20(27-23-19)13(2)21-14(3)24/h5-13H,4H2,1-3H3,(H,21,24).
What are the key properties of N-[1-[3-[4-(4-ethoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
N-[1-[3-[4-(4-ethoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 4.12, 7 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-ethoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 134139597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).