3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[1-(2-methoxyphenyl)propyl]propanamide

C22H22Cl2N2O3 — CID 46447057

IUPAC3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[1-(2-methoxyphenyl)propyl]propanamide
SMILESCCC(NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1OC
InChIInChI=1S/C22H22Cl2N2O3/c1-3-18(16-6-4-5-7-19(16)28-2)26-21(27)10-11-22-25-13-20(29-22)15-9-8-14(23)12-17(15)24/h4-9,12-13,18H,3,10-11H2,1-2H3,(H,26,27)
InChIKeyPRHQWEOCNXKZRE-UHFFFAOYSA-N
MW433.34 g/mol
LogP5.86
Rot. Bonds8

About 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[1-(2-methoxyphenyl)propyl]propanamide

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[1-(2-methoxyphenyl)propyl]propanamide (PubChem CID 46447057) has the molecular formula C22H22Cl2N2O3 and a molecular weight of 433.34 g/mol. Its IUPAC name is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[1-(2-methoxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[1-(2-methoxyphenyl)propyl]propanamide
PubChem CID46447057
Molecular FormulaC22H22Cl2N2O3
Molecular Weight433.34 g/mol
Exact Mass432.10
IUPAC Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[1-(2-methoxyphenyl)propyl]propanamide
SMILESCCC(NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1OC
InChIInChI=1S/C22H22Cl2N2O3/c1-3-18(16-6-4-5-7-19(16)28-2)26-21(27)10-11-22-25-13-20(29-22)15-9-8-14(23)12-17(15)24/h4-9,12-13,18H,3,10-11H2,1-2H3,(H,26,27)
InChIKeyPRHQWEOCNXKZRE-UHFFFAOYSA-N
XLogP5.86
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.34
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(2-ethoxyphenoxy)acetyl]propanehydrazide
CID 30039999
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103637
N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 42931318
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide
CID 51312308
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 37485188
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propanamide
CID 29473371
N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590165
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 29467289
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride
CID 120653572
N-[(4-chlorophenyl)methyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590238
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 55491583
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 17444318

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[1-(2-methoxyphenyl)propyl]propanamide?
The IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[1-(2-methoxyphenyl)propyl]propanamide (CID 46447057) is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[1-(2-methoxyphenyl)propyl]propanamide.
What is the SMILES notation for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[1-(2-methoxyphenyl)propyl]propanamide?
The canonical SMILES for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[1-(2-methoxyphenyl)propyl]propanamide is CCC(NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1OC.
What is the InChIKey of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[1-(2-methoxyphenyl)propyl]propanamide?
The InChIKey is PRHQWEOCNXKZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O3/c1-3-18(16-6-4-5-7-19(16)28-2)26-21(27)10-11-22-25-13-20(29-22)15-9-8-14(23)12-17(15)24/h4-9,12-13,18H,3,10-11H2,1-2H3,(H,26,27).
What are the key properties of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[1-(2-methoxyphenyl)propyl]propanamide?
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[1-(2-methoxyphenyl)propyl]propanamide has a molecular weight of 433.34 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[1-(2-methoxyphenyl)propyl]propanamide is sourced from PubChem (CID 46447057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).