2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-3-methylphenoxy]acetic acid

C24H23Cl2NO5 — CID 25129242

IUPAC2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-3-methylphenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)ccc1C(=O)CCc1nc(-c2ccc(Cl)cc2Cl)oc1C(C)C
InChIInChI=1S/C24H23Cl2NO5/c1-13(2)23-20(27-24(32-23)18-6-4-15(25)11-19(18)26)8-9-21(28)17-7-5-16(10-14(17)3)31-12-22(29)30/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,29,30)
InChIKeyZRUUKRRFNFQYPO-UHFFFAOYSA-N
MW476.36 g/mol
LogP6.36
Rot. Bonds9

About 2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-3-methylphenoxy]acetic acid

2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-3-methylphenoxy]acetic acid (PubChem CID 25129242) has the molecular formula C24H23Cl2NO5 and a molecular weight of 476.36 g/mol. Its IUPAC name is 2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-3-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-3-methylphenoxy]acetic acid
PubChem CID25129242
Molecular FormulaC24H23Cl2NO5
Molecular Weight476.36 g/mol
Exact Mass475.10
IUPAC Name2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-3-methylphenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)ccc1C(=O)CCc1nc(-c2ccc(Cl)cc2Cl)oc1C(C)C
InChIInChI=1S/C24H23Cl2NO5/c1-13(2)23-20(27-24(32-23)18-6-4-15(25)11-19(18)26)8-9-21(28)17-7-5-16(10-14(17)3)31-12-22(29)30/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,29,30)
InChIKeyZRUUKRRFNFQYPO-UHFFFAOYSA-N
XLogP6.36
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.36
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-2-methylphenoxy]acetic acid
CID 12993430
3-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-2-methylphenoxy]-2-methylpropanoic acid
CID 123375557
ethyl 2-[2-chloro-4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]phenoxy]acetate
CID 90865655
2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-2-methylphenoxy]butanoic acid
CID 67417775
ethyl 2-[4-[4-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]but-1-en-2-yl]-2-methylphenoxy]acetate
CID 67419590
[4-[4-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]but-1-en-2-yl]-2-methylphenyl] butanoate
CID 123577363
3-[2-(4-chloro-2-hydroxyphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[4-(2-hydroxyethoxy)-3-methylphenyl]propan-1-one
CID 165116339
1-[3-chloro-4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-3-[2-(4-chloro-2-methylphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propan-1-one
CID 165402218
2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-2-prop-2-enylphenoxy]ethyl acetate
CID 67419197
3-[2-(2,4-dichlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-sulfanylphenyl)propan-1-one
CID 142921169
1-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethanone
CID 151729307
2-[3-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]phenoxy]acetic acid
CID 67153653

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-3-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-3-methylphenoxy]acetic acid (CID 25129242) is 2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-3-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-3-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-3-methylphenoxy]acetic acid is Cc1cc(OCC(=O)O)ccc1C(=O)CCc1nc(-c2ccc(Cl)cc2Cl)oc1C(C)C.
What is the InChIKey of 2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-3-methylphenoxy]acetic acid?
The InChIKey is ZRUUKRRFNFQYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2NO5/c1-13(2)23-20(27-24(32-23)18-6-4-15(25)11-19(18)26)8-9-21(28)17-7-5-16(10-14(17)3)31-12-22(29)30/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,29,30).
What are the key properties of 2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-3-methylphenoxy]acetic acid?
2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-3-methylphenoxy]acetic acid has a molecular weight of 476.36 g/mol, XLogP of 6.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-3-methylphenoxy]acetic acid is sourced from PubChem (CID 25129242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).