2-chloro-4-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]benzamide;ethane

C20H22ClN3O2 — CID 166108220

IUPAC2-chloro-4-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]benzamide;ethane
SMILESCC.Cc1cc(C)cc(Nc2ncc(-c3ccc(C(N)=O)c(Cl)c3)o2)c1
InChIInChI=1S/C18H16ClN3O2.C2H6/c1-10-5-11(2)7-13(6-10)22-18-21-9-16(24-18)12-3-4-14(17(20)23)15(19)8-12;1-2/h3-9H,1-2H3,(H2,20,23)(H,21,22);1-2H3
InChIKeyQBHXGJFXGJIFQX-UHFFFAOYSA-N
MW371.87 g/mol
LogP5.48
Rot. Bonds4

About 2-chloro-4-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]benzamide;ethane

2-chloro-4-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]benzamide;ethane (PubChem CID 166108220) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-chloro-4-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]benzamide;ethane.

Molecular Properties

Compound Name2-chloro-4-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]benzamide;ethane
PubChem CID166108220
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name2-chloro-4-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]benzamide;ethane
SMILESCC.Cc1cc(C)cc(Nc2ncc(-c3ccc(C(N)=O)c(Cl)c3)o2)c1
InChIInChI=1S/C18H16ClN3O2.C2H6/c1-10-5-11(2)7-13(6-10)22-18-21-9-16(24-18)12-3-4-14(17(20)23)15(19)8-12;1-2/h3-9H,1-2H3,(H2,20,23)(H,21,22);1-2H3
InChIKeyQBHXGJFXGJIFQX-UHFFFAOYSA-N
XLogP5.48
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.87
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[2-(3-fluoro-5-methylanilino)-1,3-oxazol-5-yl]benzoic acid
CID 166108177
4-[2-(3,4-dimethylanilino)-1,3-oxazol-5-yl]benzamide
CID 166108152
4-[2-(5-acetyl-2-methylanilino)-1,3-oxazol-5-yl]benzamide
CID 11965524
3-N-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine
CID 146018038
N,3-dihydroxy-N-methyl-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
CID 167627830
6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridin-3-ol
CID 167652045
methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate
CID 155585480
N-(3-methyl-5-morpholin-4-ylphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 134605229
methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate
CID 139441240
5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 172942272
2-chloro-4-[1-(4-methylphenyl)propylamino]benzamide
CID 43736529
2-chloro-4-(4-methoxyphenyl)benzamide
CID 23360610

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]benzamide;ethane?
The IUPAC name of 2-chloro-4-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]benzamide;ethane (CID 166108220) is 2-chloro-4-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]benzamide;ethane.
What is the SMILES notation for 2-chloro-4-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]benzamide;ethane?
The canonical SMILES for 2-chloro-4-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]benzamide;ethane is CC.Cc1cc(C)cc(Nc2ncc(-c3ccc(C(N)=O)c(Cl)c3)o2)c1.
What is the InChIKey of 2-chloro-4-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]benzamide;ethane?
The InChIKey is QBHXGJFXGJIFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2.C2H6/c1-10-5-11(2)7-13(6-10)22-18-21-9-16(24-18)12-3-4-14(17(20)23)15(19)8-12;1-2/h3-9H,1-2H3,(H2,20,23)(H,21,22);1-2H3.
What are the key properties of 2-chloro-4-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]benzamide;ethane?
2-chloro-4-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]benzamide;ethane has a molecular weight of 371.87 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]benzamide;ethane is sourced from PubChem (CID 166108220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).