2-(3-chloro-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C13H14ClN3O2 — CID 51178299

IUPAC2-(3-chloro-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CNc2ccc(C)c(Cl)c2)no1
InChIInChI=1S/C13H14ClN3O2/c1-8-3-4-10(6-11(8)14)15-7-13(18)16-12-5-9(2)19-17-12/h3-6,15H,7H2,1-2H3,(H,16,17,18)
InChIKeyGAVOOZBUAASFOJ-UHFFFAOYSA-N
MW279.73 g/mol
LogP3.00
Rot. Bonds4

About 2-(3-chloro-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(3-chloro-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 51178299) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID51178299
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name2-(3-chloro-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CNc2ccc(C)c(Cl)c2)no1
InChIInChI=1S/C13H14ClN3O2/c1-8-3-4-10(6-11(8)14)15-7-13(18)16-12-5-9(2)19-17-12/h3-6,15H,7H2,1-2H3,(H,16,17,18)
InChIKeyGAVOOZBUAASFOJ-UHFFFAOYSA-N
XLogP3.00
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042633
2-(3-chloro-4-methylanilino)acetohydrazide
CID 865656
2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971
2-[4-(diethylamino)anilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 109010414
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)acetamide
CID 39912338
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955334
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide
CID 46537886
N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109038794
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
CID 109011258
N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 109007872
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113154961
N-(3-chloro-4-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109293157

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(3-chloro-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 51178299) is 2-(3-chloro-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CNc2ccc(C)c(Cl)c2)no1.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is GAVOOZBUAASFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-8-3-4-10(6-11(8)14)15-7-13(18)16-12-5-9(2)19-17-12/h3-6,15H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(3-chloro-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(3-chloro-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 279.73 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 51178299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).