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

C22H22ClN3O3 — CID 19244638

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
SMILESCc1cc(OCC(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)cc(C)c1Cl
InChIInChI=1S/C22H22ClN3O3/c1-13-9-18(10-14(2)20(13)23)28-12-19(27)24-22-21(25-29-26-22)17-8-7-15-5-3-4-6-16(15)11-17/h7-11H,3-6,12H2,1-2H3,(H,24,26,27)
InChIKeyXBIQATYQRDEZFI-UHFFFAOYSA-N
MW411.89 g/mol
LogP4.90
Rot. Bonds5

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

2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 19244638) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
PubChem CID19244638
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
SMILESCc1cc(OCC(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)cc(C)c1Cl
InChIInChI=1S/C22H22ClN3O3/c1-13-9-18(10-14(2)20(13)23)28-12-19(27)24-22-21(25-29-26-22)17-8-7-15-5-3-4-6-16(15)11-17/h7-11H,3-6,12H2,1-2H3,(H,24,26,27)
InChIKeyXBIQATYQRDEZFI-UHFFFAOYSA-N
XLogP4.90
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide (CID 19244638) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide is Cc1cc(OCC(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
The InChIKey is XBIQATYQRDEZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-13-9-18(10-14(2)20(13)23)28-12-19(27)24-22-21(25-29-26-22)17-8-7-15-5-3-4-6-16(15)11-17/h7-11H,3-6,12H2,1-2H3,(H,24,26,27).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 411.89 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 19244638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).