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

C21H21ClN2O2 — CID 46232411

IUPAC3-(2-chlorophenyl)-N,5-dimethyl-N-(4-propylphenyl)-1,2-oxazole-4-carboxamide
SMILESCCCc1ccc(N(C)C(=O)c2c(-c3ccccc3Cl)noc2C)cc1
InChIInChI=1S/C21H21ClN2O2/c1-4-7-15-10-12-16(13-11-15)24(3)21(25)19-14(2)26-23-20(19)17-8-5-6-9-18(17)22/h5-6,8-13H,4,7H2,1-3H3
InChIKeyCHDRRISOFKAHLC-UHFFFAOYSA-N
MW368.86 g/mol
LogP5.53
Rot. Bonds5

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

3-(2-chlorophenyl)-N,5-dimethyl-N-(4-propylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 46232411) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N,5-dimethyl-N-(4-propylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N,5-dimethyl-N-(4-propylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID46232411
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name3-(2-chlorophenyl)-N,5-dimethyl-N-(4-propylphenyl)-1,2-oxazole-4-carboxamide
SMILESCCCc1ccc(N(C)C(=O)c2c(-c3ccccc3Cl)noc2C)cc1
InChIInChI=1S/C21H21ClN2O2/c1-4-7-15-10-12-16(13-11-15)24(3)21(25)19-14(2)26-23-20(19)17-8-5-6-9-18(17)22/h5-6,8-13H,4,7H2,1-3H3
InChIKeyCHDRRISOFKAHLC-UHFFFAOYSA-N
XLogP5.53
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.86
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-(4-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 44605616
3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 46232628
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
3-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 949324
3-(2-chlorophenyl)-N,N-bis(2-cyanoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2803491
3-(2-chlorophenyl)-N-(4-chlorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
CID 46232657
3-(2-chlorophenyl)-N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 29221000
3-(2-chlorophenyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 112764534
3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1009220
3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide
CID 4127168
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N,5-dimethyl-N-(4-propylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N,5-dimethyl-N-(4-propylphenyl)-1,2-oxazole-4-carboxamide (CID 46232411) is 3-(2-chlorophenyl)-N,5-dimethyl-N-(4-propylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N,5-dimethyl-N-(4-propylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N,5-dimethyl-N-(4-propylphenyl)-1,2-oxazole-4-carboxamide is CCCc1ccc(N(C)C(=O)c2c(-c3ccccc3Cl)noc2C)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N,5-dimethyl-N-(4-propylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is CHDRRISOFKAHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-4-7-15-10-12-16(13-11-15)24(3)21(25)19-14(2)26-23-20(19)17-8-5-6-9-18(17)22/h5-6,8-13H,4,7H2,1-3H3.
What are the key properties of 3-(2-chlorophenyl)-N,5-dimethyl-N-(4-propylphenyl)-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N,5-dimethyl-N-(4-propylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 368.86 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N,5-dimethyl-N-(4-propylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46232411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).