2-(4-chlorophenoxy)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide

C21H16ClN3O4 — CID 90563338

IUPAC2-(4-chlorophenoxy)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccccc1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C21H16ClN3O4/c22-15-7-9-16(10-8-15)28-13-19(26)23-17-5-2-1-4-14(17)12-20-24-21(25-29-20)18-6-3-11-27-18/h1-11H,12-13H2,(H,23,26)
InChIKeyHHWXZZTWKSOYDS-UHFFFAOYSA-N
MW409.83 g/mol
LogP4.59
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide

2-(4-chlorophenoxy)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide (PubChem CID 90563338) has the molecular formula C21H16ClN3O4 and a molecular weight of 409.83 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
PubChem CID90563338
Molecular FormulaC21H16ClN3O4
Molecular Weight409.83 g/mol
Exact Mass409.08
IUPAC Name2-(4-chlorophenoxy)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccccc1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C21H16ClN3O4/c22-15-7-9-16(10-8-15)28-13-19(26)23-17-5-2-1-4-14(17)12-20-24-21(25-29-20)18-6-3-11-27-18/h1-11H,12-13H2,(H,23,26)
InChIKeyHHWXZZTWKSOYDS-UHFFFAOYSA-N
XLogP4.59
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.83
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
CID 90563356
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 30331853
5-chloro-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]thiophene-2-carboxamide
CID 71800597
2-(1,2-benzoxazol-3-yl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
CID 72717405
1-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 90563377
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-3-methyloxetane-3-carboxamide
CID 146022520
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-4-(trifluoromethyl)benzamide
CID 90563328
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 86263840
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-4-phenyloxane-4-carboxamide
CID 90563408
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71800594
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 90563376
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide (CID 90563338) is 2-(4-chlorophenoxy)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1ccccc1Cc1nc(-c2ccco2)no1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
The InChIKey is HHWXZZTWKSOYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O4/c22-15-7-9-16(10-8-15)28-13-19(26)23-17-5-2-1-4-14(17)12-20-24-21(25-29-20)18-6-3-11-27-18/h1-11H,12-13H2,(H,23,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
2-(4-chlorophenoxy)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide has a molecular weight of 409.83 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 90563338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).