methyl 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-5-methylbenzoate

C19H16ClNO4 — CID 112828219

IUPACmethyl 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1OCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H16ClNO4/c1-12-3-8-16(15(9-12)19(22)23-2)24-11-18-21-10-17(25-18)13-4-6-14(20)7-5-13/h3-10H,11H2,1-2H3
InChIKeyPLEFTJYKTINMOW-UHFFFAOYSA-N
MW357.79 g/mol
LogP4.67
Rot. Bonds5

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

methyl 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-5-methylbenzoate (PubChem CID 112828219) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is methyl 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-5-methylbenzoate
PubChem CID112828219
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Namemethyl 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1OCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H16ClNO4/c1-12-3-8-16(15(9-12)19(22)23-2)24-11-18-21-10-17(25-18)13-4-6-14(20)7-5-13/h3-10H,11H2,1-2H3
InChIKeyPLEFTJYKTINMOW-UHFFFAOYSA-N
XLogP4.67
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole
CID 9354227
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103614
4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide
CID 9356011
1-[2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-2-methoxyethanone
CID 82051875
4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzaldehyde
CID 29420744
N-(3-chloro-4-methoxyphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591918
methyl 5-amino-2-[(4-chlorophenyl)methoxy]benzoate
CID 65126151
methyl 2-(3-hydroxypropoxy)-5-methylbenzoate
CID 110885047
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 2-methoxy-5-nitrobenzoate
CID 35199686
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid
CID 43468615
2-[(5-methyl-2-nitrophenoxy)methyl]-5-phenyl-1,3-oxazole
CID 41459120

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-5-methylbenzoate?
The IUPAC name of methyl 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-5-methylbenzoate (CID 112828219) is methyl 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-5-methylbenzoate.
What is the SMILES notation for methyl 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-5-methylbenzoate?
The canonical SMILES for methyl 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-5-methylbenzoate is COC(=O)c1cc(C)ccc1OCc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of methyl 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-5-methylbenzoate?
The InChIKey is PLEFTJYKTINMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-12-3-8-16(15(9-12)19(22)23-2)24-11-18-21-10-17(25-18)13-4-6-14(20)7-5-13/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-5-methylbenzoate?
methyl 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-5-methylbenzoate has a molecular weight of 357.79 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-5-methylbenzoate is sourced from PubChem (CID 112828219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).