N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide

C13H13Cl2N3O2 — CID 109042633

IUPACN-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
SMILESCc1cc(NCCC(=O)Nc2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C13H13Cl2N3O2/c1-8-6-12(18-20-8)16-5-4-13(19)17-9-2-3-10(14)11(15)7-9/h2-3,6-7H,4-5H2,1H3,(H,16,18)(H,17,19)
InChIKeyFTWNHRLNLJNMTI-UHFFFAOYSA-N
MW314.17 g/mol
LogP3.73
Rot. Bonds5

About N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide

N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide (PubChem CID 109042633) has the molecular formula C13H13Cl2N3O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
PubChem CID109042633
Molecular FormulaC13H13Cl2N3O2
Molecular Weight314.17 g/mol
Exact Mass313.04
IUPAC NameN-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
SMILESCc1cc(NCCC(=O)Nc2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C13H13Cl2N3O2/c1-8-6-12(18-20-8)16-5-4-13(19)17-9-2-3-10(14)11(15)7-9/h2-3,6-7H,4-5H2,1H3,(H,16,18)(H,17,19)
InChIKeyFTWNHRLNLJNMTI-UHFFFAOYSA-N
XLogP3.73
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109038794
N-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042249
N-(4-acetylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109041036
methyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]benzoate
CID 109041512
2-(3-chloro-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51178299
N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039718
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955334
1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050241
N-(2,6-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109035848
3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 109042013
N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042632
N-(2,6-difluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042862

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide (CID 109042633) is N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide is Cc1cc(NCCC(=O)Nc2ccc(Cl)c(Cl)c2)no1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide?
The InChIKey is FTWNHRLNLJNMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2/c1-8-6-12(18-20-8)16-5-4-13(19)17-9-2-3-10(14)11(15)7-9/h2-3,6-7H,4-5H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide?
N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide has a molecular weight of 314.17 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide is sourced from PubChem (CID 109042633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).