4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid

C19H17NO4 — CID 53213294

IUPAC4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid
SMILESCc1cccc(OCc2nc(-c3ccc(C(=O)O)cc3)oc2C)c1
InChIInChI=1S/C19H17NO4/c1-12-4-3-5-16(10-12)23-11-17-13(2)24-18(20-17)14-6-8-15(9-7-14)19(21)22/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyIGMLZWDMGAVOJZ-UHFFFAOYSA-N
MW323.35 g/mol
LogP4.24
Rot. Bonds5

About 4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid

4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid (PubChem CID 53213294) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid
PubChem CID53213294
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid
SMILESCc1cccc(OCc2nc(-c3ccc(C(=O)O)cc3)oc2C)c1
InChIInChI=1S/C19H17NO4/c1-12-4-3-5-16(10-12)23-11-17-13(2)24-18(20-17)14-6-8-15(9-7-14)19(21)22/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyIGMLZWDMGAVOJZ-UHFFFAOYSA-N
XLogP4.24
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dichlorophenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazole
CID 141087712
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethanone
CID 10595616
4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916591
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propan-1-one
CID 10572402
[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 11140977
4-[4-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylbenzamide
CID 11691851
N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916670
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propan-2-one
CID 67695187
2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883980
4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)benzamide
CID 20916598
4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916648
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51337132

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid?
The IUPAC name of 4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid (CID 53213294) is 4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid?
The canonical SMILES for 4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid is Cc1cccc(OCc2nc(-c3ccc(C(=O)O)cc3)oc2C)c1.
What is the InChIKey of 4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid?
The InChIKey is IGMLZWDMGAVOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-12-4-3-5-16(10-12)23-11-17-13(2)24-18(20-17)14-6-8-15(9-7-14)19(21)22/h3-10H,11H2,1-2H3,(H,21,22).
What are the key properties of 4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid?
4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid has a molecular weight of 323.35 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid is sourced from PubChem (CID 53213294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).