N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide

C16H18ClN3O3 — CID 108969068

IUPACN-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
SMILESCc1cc(NC(=O)C(C)(C)C(=O)Nc2cccc(Cl)c2C)no1
InChIInChI=1S/C16H18ClN3O3/c1-9-8-13(20-23-9)19-15(22)16(3,4)14(21)18-12-7-5-6-11(17)10(12)2/h5-8H,1-4H3,(H,18,21)(H,19,20,22)
InChIKeyWNONRXKKKKQHGX-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.55
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide

N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide (PubChem CID 108969068) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
PubChem CID108969068
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC NameN-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
SMILESCc1cc(NC(=O)C(C)(C)C(=O)Nc2cccc(Cl)c2C)no1
InChIInChI=1S/C16H18ClN3O3/c1-9-8-13(20-23-9)19-15(22)16(3,4)14(21)18-12-7-5-6-11(17)10(12)2/h5-8H,1-4H3,(H,18,21)(H,19,20,22)
InChIKeyWNONRXKKKKQHGX-UHFFFAOYSA-N
XLogP3.55
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108968909
N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108962769
4-N-(3-chloro-2-methylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109092904
N-(3-chloro-2-methylphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967942
N-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960274
N-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969063
2,2-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958534
N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
CID 108961745
N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963070
N-(4-cyanophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108970171
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113181859
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide (CID 108969068) is N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide is Cc1cc(NC(=O)C(C)(C)C(=O)Nc2cccc(Cl)c2C)no1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The InChIKey is WNONRXKKKKQHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-9-8-13(20-23-9)19-15(22)16(3,4)14(21)18-12-7-5-6-11(17)10(12)2/h5-8H,1-4H3,(H,18,21)(H,19,20,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide has a molecular weight of 335.79 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide is sourced from PubChem (CID 108969068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).