N-chloro-N-[3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide

C17H12Cl2N2O2 — CID 174462724

IUPACN-chloro-N-[3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide
SMILESCC(=O)N(Cl)c1cccc(-c2cc(-c3ccccc3Cl)no2)c1
InChIInChI=1S/C17H12Cl2N2O2/c1-11(22)21(19)13-6-4-5-12(9-13)17-10-16(20-23-17)14-7-2-3-8-15(14)18/h2-10H,1H3
InChIKeyCVGGVMGTYAQFLG-UHFFFAOYSA-N
MW347.20 g/mol
LogP5.17
Rot. Bonds3

About N-chloro-N-[3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide

N-chloro-N-[3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide (PubChem CID 174462724) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is N-chloro-N-[3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-chloro-N-[3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide
PubChem CID174462724
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC NameN-chloro-N-[3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide
SMILESCC(=O)N(Cl)c1cccc(-c2cc(-c3ccccc3Cl)no2)c1
InChIInChI=1S/C17H12Cl2N2O2/c1-11(22)21(19)13-6-4-5-12(9-13)17-10-16(20-23-17)14-7-2-3-8-15(14)18/h2-10H,1H3
InChIKeyCVGGVMGTYAQFLG-UHFFFAOYSA-N
XLogP5.17
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.20
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-chloro-N-[3-[3-(2-propan-2-ylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
CID 174475581
3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 67512216
1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane
CID 178176313
5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole
CID 71425543
(2R)-2-amino-N-[2-[N-(2,2-dichloroacetyl)-3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]anilino]ethyl]-2-phenylacetamide
CID 69057071
3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane
CID 143409135
3-(2-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazole
CID 173191534
5-bromo-3-(2-chlorophenyl)-1,2-oxazole
CID 84709526
3-(2-chlorophenyl)-5-fluoro-1,2-oxazole
CID 142772559
[(1S)-2-[[(2S)-1-[N-(2,2-dichloroacetyl)-3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]anilino]-3-methylbutan-2-yl]amino]-2-oxo-1-phenylethyl]carbamic acid
CID 69055780
2,2-dichloro-N-[3-[3-(2-chloro-6-methoxyphenyl)-1,2-oxazol-5-yl]phenyl]-N-[3-(4-fluorophenyl)-3-oxopropyl]acetamide
CID 11541365
ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone
CID 145281683

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-[3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide?
The IUPAC name of N-chloro-N-[3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide (CID 174462724) is N-chloro-N-[3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-chloro-N-[3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-chloro-N-[3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide is CC(=O)N(Cl)c1cccc(-c2cc(-c3ccccc3Cl)no2)c1.
What is the InChIKey of N-chloro-N-[3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide?
The InChIKey is CVGGVMGTYAQFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c1-11(22)21(19)13-6-4-5-12(9-13)17-10-16(20-23-17)14-7-2-3-8-15(14)18/h2-10H,1H3.
What are the key properties of N-chloro-N-[3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide?
N-chloro-N-[3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide has a molecular weight of 347.20 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-[3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 174462724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).