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

C21H16ClN3O3 — CID 90563356

IUPAC2-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccccc1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C21H16ClN3O3/c22-16-9-7-14(8-10-16)12-19(26)23-17-5-2-1-4-15(17)13-20-24-21(25-28-20)18-6-3-11-27-18/h1-11H,12-13H2,(H,23,26)
InChIKeyCCPBSTCQJBSFSB-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.76
Rot. Bonds6

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

2-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide (PubChem CID 90563356) has the molecular formula C21H16ClN3O3 and a molecular weight of 393.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
PubChem CID90563356
Molecular FormulaC21H16ClN3O3
Molecular Weight393.83 g/mol
Exact Mass393.09
IUPAC Name2-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccccc1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C21H16ClN3O3/c22-16-9-7-14(8-10-16)12-19(26)23-17-5-2-1-4-15(17)13-20-24-21(25-28-20)18-6-3-11-27-18/h1-11H,12-13H2,(H,23,26)
InChIKeyCCPBSTCQJBSFSB-UHFFFAOYSA-N
XLogP4.76
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
CID 90563338
2-(1,2-benzoxazol-3-yl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
CID 72717405
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-3-methyloxetane-3-carboxamide
CID 146022520
5-chloro-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]thiophene-2-carboxamide
CID 71800597
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]-4-phenyloxane-4-carboxamide
CID 90563408
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-(trifluoromethyl)benzamide
CID 90563328
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]phenyl]-2-(4-methoxyphenyl)acetamide
CID 30332601
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propane-1-sulfonamide
CID 90563522
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90563058

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide (CID 90563356) is 2-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccccc1Cc1nc(-c2ccco2)no1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
The InChIKey is CCPBSTCQJBSFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3/c22-16-9-7-14(8-10-16)12-19(26)23-17-5-2-1-4-15(17)13-20-24-21(25-28-20)18-6-3-11-27-18/h1-11H,12-13H2,(H,23,26).
What are the key properties of 2-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
2-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide has a molecular weight of 393.83 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 90563356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).