3-(2,3-dichlorophenyl)-1,2-oxazole-4-carboxamide

C10H6Cl2N2O2 — CID 870179

IUPAC3-(2,3-dichlorophenyl)-1,2-oxazole-4-carboxamide
SMILESNC(=O)c1conc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C10H6Cl2N2O2/c11-7-3-1-2-5(8(7)12)9-6(10(13)15)4-16-14-9/h1-4H,(H2,13,15)
InChIKeyLUNAFUAKNDCSRY-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.75
Rot. Bonds2

About 3-(2,3-dichlorophenyl)-1,2-oxazole-4-carboxamide

3-(2,3-dichlorophenyl)-1,2-oxazole-4-carboxamide (PubChem CID 870179) has the molecular formula C10H6Cl2N2O2 and a molecular weight of 257.08 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-1,2-oxazole-4-carboxamide
PubChem CID870179
Molecular FormulaC10H6Cl2N2O2
Molecular Weight257.08 g/mol
Exact Mass255.98
IUPAC Name3-(2,3-dichlorophenyl)-1,2-oxazole-4-carboxamide
SMILESNC(=O)c1conc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C10H6Cl2N2O2/c11-7-3-1-2-5(8(7)12)9-6(10(13)15)4-16-14-9/h1-4H,(H2,13,15)
InChIKeyLUNAFUAKNDCSRY-UHFFFAOYSA-N
XLogP2.75
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichlorobenzamide;hydron
CID 69226563
4,5-dichloro-3-(2,3-dichlorophenyl)-1,2-oxazole
CID 131867762
2-(2,6-dichlorophenyl)benzamide
CID 67032434
2,1-benzoxazole-7-carboxamide
CID 68873246
4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazine-7-carboxamide
CID 137391063
2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid
CID 170837701
2-chloro-6-(2,3,6-trichlorophenyl)benzamide
CID 134622714
2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane
CID 158555403
(Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 94034259
3-(2,3-dichlorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335737
3-(2,6-dimethylphenyl)-1,2-oxazole-4-carboxylic acid
CID 71035349
(E)-3-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81252626

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-1,2-oxazole-4-carboxamide (CID 870179) is 3-(2,3-dichlorophenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-1,2-oxazole-4-carboxamide is NC(=O)c1conc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is LUNAFUAKNDCSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2/c11-7-3-1-2-5(8(7)12)9-6(10(13)15)4-16-14-9/h1-4H,(H2,13,15).
What are the key properties of 3-(2,3-dichlorophenyl)-1,2-oxazole-4-carboxamide?
3-(2,3-dichlorophenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 257.08 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 870179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).