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

C18H17N3O2 — CID 166108152

IUPAC4-[2-(3,4-dimethylanilino)-1,3-oxazol-5-yl]benzamide
SMILESCc1ccc(Nc2ncc(-c3ccc(C(N)=O)cc3)o2)cc1C
InChIInChI=1S/C18H17N3O2/c1-11-3-8-15(9-12(11)2)21-18-20-10-16(23-18)13-4-6-14(7-5-13)17(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,21)
InChIKeyHVNHHYBABMRSRT-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.80
Rot. Bonds4

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

4-[2-(3,4-dimethylanilino)-1,3-oxazol-5-yl]benzamide (PubChem CID 166108152) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[2-(3,4-dimethylanilino)-1,3-oxazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-(3,4-dimethylanilino)-1,3-oxazol-5-yl]benzamide
PubChem CID166108152
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-[2-(3,4-dimethylanilino)-1,3-oxazol-5-yl]benzamide
SMILESCc1ccc(Nc2ncc(-c3ccc(C(N)=O)cc3)o2)cc1C
InChIInChI=1S/C18H17N3O2/c1-11-3-8-15(9-12(11)2)21-18-20-10-16(23-18)13-4-6-14(7-5-13)17(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,21)
InChIKeyHVNHHYBABMRSRT-UHFFFAOYSA-N
XLogP3.80
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(5-acetyl-2-methylanilino)-1,3-oxazol-5-yl]benzamide
CID 11965524
4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid
CID 166108179
4-[2-[3-methoxy-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzamide
CID 166108173
2-chloro-4-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]benzamide;ethane
CID 166108220
ethyl 2-methoxy-4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzoate
CID 139225247
4-methyl-1-N-(5-phenyl-1,3-oxazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine
CID 11395732
5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 172942272
3-N-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine
CID 146018038
N',3-dihydroxy-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
CID 172965921
methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate
CID 139441240
4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid
CID 166108164
N,3-dihydroxy-N-methyl-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
CID 167627830

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethylanilino)-1,3-oxazol-5-yl]benzamide?
The IUPAC name of 4-[2-(3,4-dimethylanilino)-1,3-oxazol-5-yl]benzamide (CID 166108152) is 4-[2-(3,4-dimethylanilino)-1,3-oxazol-5-yl]benzamide.
What is the SMILES notation for 4-[2-(3,4-dimethylanilino)-1,3-oxazol-5-yl]benzamide?
The canonical SMILES for 4-[2-(3,4-dimethylanilino)-1,3-oxazol-5-yl]benzamide is Cc1ccc(Nc2ncc(-c3ccc(C(N)=O)cc3)o2)cc1C.
What is the InChIKey of 4-[2-(3,4-dimethylanilino)-1,3-oxazol-5-yl]benzamide?
The InChIKey is HVNHHYBABMRSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-3-8-15(9-12(11)2)21-18-20-10-16(23-18)13-4-6-14(7-5-13)17(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,21).
What are the key properties of 4-[2-(3,4-dimethylanilino)-1,3-oxazol-5-yl]benzamide?
4-[2-(3,4-dimethylanilino)-1,3-oxazol-5-yl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethylanilino)-1,3-oxazol-5-yl]benzamide is sourced from PubChem (CID 166108152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).