[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-hydroxy-2-methyl-3-phenylbutanoate

C21H20ClNO4 — CID 75424220

IUPAC[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-hydroxy-2-methyl-3-phenylbutanoate
SMILESCC(c1ccccc1)C(C)(O)C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C21H20ClNO4/c1-14(15-6-4-3-5-7-15)21(2,25)20(24)26-13-19-23-12-18(27-19)16-8-10-17(22)11-9-16/h3-12,14,25H,13H2,1-2H3
InChIKeyMKRHXCJVRQQFHY-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.59
Rot. Bonds6

About [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-hydroxy-2-methyl-3-phenylbutanoate

[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-hydroxy-2-methyl-3-phenylbutanoate (PubChem CID 75424220) has the molecular formula C21H20ClNO4 and a molecular weight of 385.85 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-hydroxy-2-methyl-3-phenylbutanoate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-hydroxy-2-methyl-3-phenylbutanoate
PubChem CID75424220
Molecular FormulaC21H20ClNO4
Molecular Weight385.85 g/mol
Exact Mass385.11
IUPAC Name[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-hydroxy-2-methyl-3-phenylbutanoate
SMILESCC(c1ccccc1)C(C)(O)C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C21H20ClNO4/c1-14(15-6-4-3-5-7-15)21(2,25)20(24)26-13-19-23-12-18(27-19)16-8-10-17(22)11-9-16/h3-12,14,25H,13H2,1-2H3
InChIKeyMKRHXCJVRQQFHY-UHFFFAOYSA-N
XLogP4.59
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16500406
(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate
CID 9467187
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid
CID 43442560
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine
CID 78817732
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835792
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 1H-indole-3-carboxylate
CID 8607373
4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide
CID 9356011
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid
CID 43468615
(5-phenyl-1,3-oxazol-2-yl)methyl (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454592
2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]sulfanylacetamide
CID 51226891
(5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 46789897
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (2R)-oxolane-2-carboxylate
CID 41480013

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-hydroxy-2-methyl-3-phenylbutanoate?
The IUPAC name of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-hydroxy-2-methyl-3-phenylbutanoate (CID 75424220) is [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-hydroxy-2-methyl-3-phenylbutanoate.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-hydroxy-2-methyl-3-phenylbutanoate?
The canonical SMILES for [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-hydroxy-2-methyl-3-phenylbutanoate is CC(c1ccccc1)C(C)(O)C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-hydroxy-2-methyl-3-phenylbutanoate?
The InChIKey is MKRHXCJVRQQFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO4/c1-14(15-6-4-3-5-7-15)21(2,25)20(24)26-13-19-23-12-18(27-19)16-8-10-17(22)11-9-16/h3-12,14,25H,13H2,1-2H3.
What are the key properties of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-hydroxy-2-methyl-3-phenylbutanoate?
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-hydroxy-2-methyl-3-phenylbutanoate has a molecular weight of 385.85 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-hydroxy-2-methyl-3-phenylbutanoate is sourced from PubChem (CID 75424220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).