2-chloro-N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide

C22H23ClN2O2 — CID 83281968

IUPAC2-chloro-N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
SMILESCCCN(Cc1cc(-c2ccc(C)cc2C)on1)C(=O)c1ccccc1Cl
InChIInChI=1S/C22H23ClN2O2/c1-4-11-25(22(26)19-7-5-6-8-20(19)23)14-17-13-21(27-24-17)18-10-9-15(2)12-16(18)3/h5-10,12-13H,4,11,14H2,1-3H3
InChIKeyXBDXZHUYXICISG-UHFFFAOYSA-N
MW382.89 g/mol
LogP5.66
Rot. Bonds6

About 2-chloro-N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide

2-chloro-N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide (PubChem CID 83281968) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 2-chloro-N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
PubChem CID83281968
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name2-chloro-N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
SMILESCCCN(Cc1cc(-c2ccc(C)cc2C)on1)C(=O)c1ccccc1Cl
InChIInChI=1S/C22H23ClN2O2/c1-4-11-25(22(26)19-7-5-6-8-20(19)23)14-17-13-21(27-24-17)18-10-9-15(2)12-16(18)3/h5-10,12-13H,4,11,14H2,1-3H3
InChIKeyXBDXZHUYXICISG-UHFFFAOYSA-N
XLogP5.66
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
CID 51070428
N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 51070364
N-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-2-methyl-N-propylpropanamide
CID 51070279
N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propylbenzamide
CID 51070319
1-benzyl-1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-propan-2-ylurea
CID 51070614
N-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070066
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide
CID 42656369
N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-fluorobenzamide
CID 51070501
N-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 51070242
1-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-1-[(4-fluorophenyl)methyl]-3-propan-2-ylurea
CID 51070626
3-(bromomethyl)-5-(2,4-dimethylphenyl)-1,2-oxazole
CID 79017594
N-butyl-2-chloro-N-ethylbenzamide
CID 2164666

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide?
The IUPAC name of 2-chloro-N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide (CID 83281968) is 2-chloro-N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide.
What is the SMILES notation for 2-chloro-N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide?
The canonical SMILES for 2-chloro-N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide is CCCN(Cc1cc(-c2ccc(C)cc2C)on1)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide?
The InChIKey is XBDXZHUYXICISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-4-11-25(22(26)19-7-5-6-8-20(19)23)14-17-13-21(27-24-17)18-10-9-15(2)12-16(18)3/h5-10,12-13H,4,11,14H2,1-3H3.
What are the key properties of 2-chloro-N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide?
2-chloro-N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide has a molecular weight of 382.89 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide is sourced from PubChem (CID 83281968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).