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

C15H16ClN3O3 — CID 108968909

IUPACN-(2-chlorophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
SMILESCc1cc(NC(=O)C(C)(C)C(=O)Nc2ccccc2Cl)no1
InChIInChI=1S/C15H16ClN3O3/c1-9-8-12(19-22-9)18-14(21)15(2,3)13(20)17-11-7-5-4-6-10(11)16/h4-8H,1-3H3,(H,17,20)(H,18,19,21)
InChIKeySMIBWRZZJCXKQY-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.24
Rot. Bonds4

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

N-(2-chlorophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide (PubChem CID 108968909) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
PubChem CID108968909
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC NameN-(2-chlorophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
SMILESCc1cc(NC(=O)C(C)(C)C(=O)Nc2ccccc2Cl)no1
InChIInChI=1S/C15H16ClN3O3/c1-9-8-12(19-22-9)18-14(21)15(2,3)13(20)17-11-7-5-4-6-10(11)16/h4-8H,1-3H3,(H,17,20)(H,18,19,21)
InChIKeySMIBWRZZJCXKQY-UHFFFAOYSA-N
XLogP3.24
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.24
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-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108969068
N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108962769
N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108965988
N'-(5-chloro-2-methylphenyl)-N-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968853
N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968886
N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108514273
2,2-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958534
N-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108962380
N-(4-cyanophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108970171
2-(2-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109316757
(2S)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 38171330
2-methyl-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 62836911

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The IUPAC name of N-(2-chlorophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide (CID 108968909) is N-(2-chlorophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide.
What is the SMILES notation for N-(2-chlorophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The canonical SMILES for N-(2-chlorophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide is Cc1cc(NC(=O)C(C)(C)C(=O)Nc2ccccc2Cl)no1.
What is the InChIKey of N-(2-chlorophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The InChIKey is SMIBWRZZJCXKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-9-8-12(19-22-9)18-14(21)15(2,3)13(20)17-11-7-5-4-6-10(11)16/h4-8H,1-3H3,(H,17,20)(H,18,19,21).
What are the key properties of N-(2-chlorophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
N-(2-chlorophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide has a molecular weight of 321.76 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide is sourced from PubChem (CID 108968909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).