2-(3-chlorophenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide

C20H18ClN3O3 — CID 19244662

IUPAC2-(3-chlorophenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
SMILESO=C(COc1cccc(Cl)c1)Nc1nonc1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H18ClN3O3/c21-16-6-3-7-17(11-16)26-12-18(25)22-20-19(23-27-24-20)15-9-8-13-4-1-2-5-14(13)10-15/h3,6-11H,1-2,4-5,12H2,(H,22,24,25)
InChIKeyPBSOCAHZUAZZHJ-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.29
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide

2-(3-chlorophenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 19244662) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
PubChem CID19244662
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name2-(3-chlorophenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
SMILESO=C(COc1cccc(Cl)c1)Nc1nonc1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H18ClN3O3/c21-16-6-3-7-17(11-16)26-12-18(25)22-20-19(23-27-24-20)15-9-8-13-4-1-2-5-14(13)10-15/h3,6-11H,1-2,4-5,12H2,(H,22,24,25)
InChIKeyPBSOCAHZUAZZHJ-UHFFFAOYSA-N
XLogP4.29
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
CID 19244638
2-(3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
CID 19244640
methyl 2-[[2-(3-chlorophenoxy)acetyl]amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
CID 19227757
benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide)
CID 175653131
2-propoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
CID 19244658
4-tert-butyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
CID 19244598
2-(3-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2632943
[2-(3-chloroanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4803026
2-(3-chlorophenoxy)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 35142597
2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
CID 19244865
4-[4-[[2-(3-chlorophenoxy)acetyl]amino]phenyl]benzenesulfinate
CID 59334768
N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-chlorophenoxy)acetamide
CID 42387509

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide (CID 19244662) is 2-(3-chlorophenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide is O=C(COc1cccc(Cl)c1)Nc1nonc1-c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
The InChIKey is PBSOCAHZUAZZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c21-16-6-3-7-17(11-16)26-12-18(25)22-20-19(23-27-24-20)15-9-8-13-4-1-2-5-14(13)10-15/h3,6-11H,1-2,4-5,12H2,(H,22,24,25).
What are the key properties of 2-(3-chlorophenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
2-(3-chlorophenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 383.84 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 19244662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).