N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide

C16H18ClN3O3 — CID 108962769

IUPACN-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
SMILESCc1cc(NC(=O)C(C)(C)C(=O)NCc2ccccc2Cl)no1
InChIInChI=1S/C16H18ClN3O3/c1-10-8-13(20-23-10)19-15(22)16(2,3)14(21)18-9-11-6-4-5-7-12(11)17/h4-8H,9H2,1-3H3,(H,18,21)(H,19,20,22)
InChIKeyFDIRGJWEGLCLNR-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.92
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide

N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide (PubChem CID 108962769) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
PubChem CID108962769
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
SMILESCc1cc(NC(=O)C(C)(C)C(=O)NCc2ccccc2Cl)no1
InChIInChI=1S/C16H18ClN3O3/c1-10-8-13(20-23-10)19-15(22)16(2,3)14(21)18-9-11-6-4-5-7-12(11)17/h4-8H,9H2,1-3H3,(H,18,21)(H,19,20,22)
InChIKeyFDIRGJWEGLCLNR-UHFFFAOYSA-N
XLogP2.92
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.92
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-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108969068
4-N-[(2-chlorophenyl)methyl]-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109086668
N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962718
N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide
CID 108962767
1-[(2-chlorophenyl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47125477
4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide
CID 110614657
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30662699
methyl 4-[[3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108962747
(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95331521
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113181772
N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide
CID 108962686

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide (CID 108962769) is N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide is Cc1cc(NC(=O)C(C)(C)C(=O)NCc2ccccc2Cl)no1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The InChIKey is FDIRGJWEGLCLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-10-8-13(20-23-10)19-15(22)16(2,3)14(21)18-9-11-6-4-5-7-12(11)17/h4-8H,9H2,1-3H3,(H,18,21)(H,19,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide has a molecular weight of 335.79 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide is sourced from PubChem (CID 108962769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).