benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate

C19H17NO3 — CID 139762946

IUPACbenzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate
SMILESCc1ccc(-c2oc(C)nc2C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H17NO3/c1-13-8-10-16(11-9-13)18-17(20-14(2)23-18)19(21)22-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyFXFQMVYYBMLTMZ-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.32
Rot. Bonds4

About benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate

benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 139762946) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate
PubChem CID139762946
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Namebenzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate
SMILESCc1ccc(-c2oc(C)nc2C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H17NO3/c1-13-8-10-16(11-9-13)18-17(20-14(2)23-18)19(21)22-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyFXFQMVYYBMLTMZ-UHFFFAOYSA-N
XLogP4.32
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-methyl-5-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxylate
CID 139763000
benzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
CID 44556824
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
benzyl 4-amino-3-chloro-5-fluoro-6-(4-methylphenyl)pyridine-2-carboxylate
CID 123351569
dibenzyl 4,6-dimethylpyridine-2,3-dicarboxylate
CID 170190396
ethyl 2-methyl-5-[2-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate
CID 146591456
benzyl 4-[(4-methylphenyl)diazenyl]benzoate
CID 155439607
benzyl 4,5-dimethyl-1,3-oxazole-2-carboxylate
CID 134511513
tetrabenzyl 6-methylpyridine-2,3,4,5-tetracarboxylate
CID 126657451
benzyl 1-(4-methylphenyl)sulfonyl-5-phenyltriazole-4-carboxylate
CID 134944847
ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 70167506
ethyl 5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxylate
CID 69189763

Frequently Asked Questions

What is the IUPAC name of benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate (CID 139762946) is benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate is Cc1ccc(-c2oc(C)nc2C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is FXFQMVYYBMLTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-13-8-10-16(11-9-13)18-17(20-14(2)23-18)19(21)22-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3.
What are the key properties of benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate?
benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 139762946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).