ethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate

C16H19NO3 — CID 57434498

IUPACethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(C)cc2)oc1C(C)C
InChIInChI=1S/C16H19NO3/c1-5-19-16(18)13-14(10(2)3)20-15(17-13)12-8-6-11(4)7-9-12/h6-10H,5H2,1-4H3
InChIKeyXWKOSAYDZJXYQO-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.95
Rot. Bonds4

About ethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate

ethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate (PubChem CID 57434498) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate
PubChem CID57434498
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Nameethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(C)cc2)oc1C(C)C
InChIInChI=1S/C16H19NO3/c1-5-19-16(18)13-14(10(2)3)20-15(17-13)12-8-6-11(4)7-9-12/h6-10H,5H2,1-4H3
InChIKeyXWKOSAYDZJXYQO-UHFFFAOYSA-N
XLogP3.95
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-methoxyphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 152807830
methyl 2-phenyl-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 58874245
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
ethyl 5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 42883064
ethyl 5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylate
CID 122477403
ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 70167506
methyl 2-(3,4-difluorophenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 122476403
ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
CID 166154754
ethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate
CID 66007853
ethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate
CID 70164872
ethyl 2-(4-bromophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372237
ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 11108817

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate (CID 57434498) is ethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2ccc(C)cc2)oc1C(C)C.
What is the InChIKey of ethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate?
The InChIKey is XWKOSAYDZJXYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-5-19-16(18)13-14(10(2)3)20-15(17-13)12-8-6-11(4)7-9-12/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate?
ethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 57434498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).