3-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

C16H19ClN2O4 — CID 949324

IUPAC3-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOC(CN(C)C(=O)c1c(-c2ccccc2Cl)noc1C)OC
InChIInChI=1S/C16H19ClN2O4/c1-10-14(16(20)19(2)9-13(21-3)22-4)15(18-23-10)11-7-5-6-8-12(11)17/h5-8,13H,9H2,1-4H3
InChIKeyUCKGJMUSDOYGAU-UHFFFAOYSA-N
MW338.79 g/mol
LogP2.99
Rot. Bonds6

About 3-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 949324) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID949324
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name3-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOC(CN(C)C(=O)c1c(-c2ccccc2Cl)noc1C)OC
InChIInChI=1S/C16H19ClN2O4/c1-10-14(16(20)19(2)9-13(21-3)22-4)15(18-23-10)11-7-5-6-8-12(11)17/h5-8,13H,9H2,1-4H3
InChIKeyUCKGJMUSDOYGAU-UHFFFAOYSA-N
XLogP2.99
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 29221000
3-(2-chlorophenyl)-N-(4-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 44605616
N,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4651566
3-(2-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110886583
methoxymethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 9114662
3-(2-chlorophenyl)-N,N-bis(2-cyanoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2803491
3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 46232628
3-(2-chlorophenyl)-N,5-dimethyl-N-(4-propylphenyl)-1,2-oxazole-4-carboxamide
CID 46232411
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
3-(2-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 884674
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]but-3-en-1-one
CID 11032674

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide (CID 949324) is 3-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide is COC(CN(C)C(=O)c1c(-c2ccccc2Cl)noc1C)OC.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is UCKGJMUSDOYGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4/c1-10-14(16(20)19(2)9-13(21-3)22-4)15(18-23-10)11-7-5-6-8-12(11)17/h5-8,13H,9H2,1-4H3.
What are the key properties of 3-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 338.79 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 949324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).