2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone

C16H11ClN2O2 — CID 63345476

IUPAC2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
SMILESO=C(Cc1nc(-c2ccccc2Cl)no1)c1ccccc1
InChIInChI=1S/C16H11ClN2O2/c17-13-9-5-4-8-12(13)16-18-15(21-19-16)10-14(20)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyCZHUZJJLCKKGPI-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.82
Rot. Bonds4

About 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone

2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone (PubChem CID 63345476) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
PubChem CID63345476
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
SMILESO=C(Cc1nc(-c2ccccc2Cl)no1)c1ccccc1
InChIInChI=1S/C16H11ClN2O2/c17-13-9-5-4-8-12(13)16-18-15(21-19-16)10-14(20)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyCZHUZJJLCKKGPI-UHFFFAOYSA-N
XLogP3.82
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474434
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
CID 43465937
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740466
(2R)-2-amino-3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid
CID 61141918
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 6492197
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenoxyacetamide
CID 4974894
(2R)-2-amino-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 124500623
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 79089394
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxyacetamide
CID 4969886
methyl 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetate
CID 60661749
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 63346050
1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 55201059

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone?
The IUPAC name of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone (CID 63345476) is 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone?
The canonical SMILES for 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone is O=C(Cc1nc(-c2ccccc2Cl)no1)c1ccccc1.
What is the InChIKey of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone?
The InChIKey is CZHUZJJLCKKGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-13-9-5-4-8-12(13)16-18-15(21-19-16)10-14(20)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone?
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone has a molecular weight of 298.73 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone is sourced from PubChem (CID 63345476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).