3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide

C23H23ClN2O3 — CID 24611213

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)C2CC2)cc1
InChIInChI=1S/C23H23ClN2O3/c1-28-18-10-6-16(7-11-18)15-26(17-8-9-17)23(27)13-12-22-25-14-21(29-22)19-4-2-3-5-20(19)24/h2-7,10-11,14,17H,8-9,12-13,15H2,1H3
InChIKeyJPJVLAFNCZNQKT-UHFFFAOYSA-N
MW410.90 g/mol
LogP5.13
Rot. Bonds8

About 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 24611213) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID24611213
Molecular FormulaC23H23ClN2O3
Molecular Weight410.90 g/mol
Exact Mass410.14
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)C2CC2)cc1
InChIInChI=1S/C23H23ClN2O3/c1-28-18-10-6-16(7-11-18)15-26(17-8-9-17)23(27)13-12-22-25-14-21(29-22)19-4-2-3-5-20(19)24/h2-7,10-11,14,17H,8-9,12-13,15H2,1H3
InChIKeyJPJVLAFNCZNQKT-UHFFFAOYSA-N
XLogP5.13
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.90
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 18161298
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 24651784
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 134020373
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(dimethylamino)phenyl]methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 75866466
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119550447
2-(2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 78811041
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 60601234
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(4-methoxyanilino)acetyl]propanehydrazide
CID 55497381
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886031
N-[(3-chlorophenyl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18135934
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46533951

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide (CID 24611213) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)C2CC2)cc1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is JPJVLAFNCZNQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c1-28-18-10-6-16(7-11-18)15-26(17-8-9-17)23(27)13-12-22-25-14-21(29-22)19-4-2-3-5-20(19)24/h2-7,10-11,14,17H,8-9,12-13,15H2,1H3.
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 410.90 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 24611213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).