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

C16H19NO4 — CID 152807830

IUPACethyl 2-(4-methoxyphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(OC)cc2)oc1C(C)C
InChIInChI=1S/C16H19NO4/c1-5-20-16(18)13-14(10(2)3)21-15(17-13)11-6-8-12(19-4)9-7-11/h6-10H,5H2,1-4H3
InChIKeySPVRIGDRXKWQES-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.65
Rot. Bonds5

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

ethyl 2-(4-methoxyphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate (PubChem CID 152807830) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate
PubChem CID152807830
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Nameethyl 2-(4-methoxyphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(OC)cc2)oc1C(C)C
InChIInChI=1S/C16H19NO4/c1-5-20-16(18)13-14(10(2)3)21-15(17-13)11-6-8-12(19-4)9-7-11/h6-10H,5H2,1-4H3
InChIKeySPVRIGDRXKWQES-UHFFFAOYSA-N
XLogP3.65
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate (CID 152807830) is ethyl 2-(4-methoxyphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2ccc(OC)cc2)oc1C(C)C.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate?
The InChIKey is SPVRIGDRXKWQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-5-20-16(18)13-14(10(2)3)21-15(17-13)11-6-8-12(19-4)9-7-11/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 2-(4-methoxyphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate?
ethyl 2-(4-methoxyphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 152807830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).