ethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate

C15H18N2O4 — CID 66007853

IUPACethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccc(OC(C)C)c2)oc1N
InChIInChI=1S/C15H18N2O4/c1-4-19-15(18)12-13(16)21-14(17-12)10-6-5-7-11(8-10)20-9(2)3/h5-9H,4,16H2,1-3H3
InChIKeyYGNIPZUIXQECMK-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.89
Rot. Bonds5

About ethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate

ethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 66007853) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate
PubChem CID66007853
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nameethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccc(OC(C)C)c2)oc1N
InChIInChI=1S/C15H18N2O4/c1-4-19-15(18)12-13(16)21-14(17-12)10-6-5-7-11(8-10)20-9(2)3/h5-9H,4,16H2,1-3H3
InChIKeyYGNIPZUIXQECMK-UHFFFAOYSA-N
XLogP2.89
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate (CID 66007853) is ethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2cccc(OC(C)C)c2)oc1N.
What is the InChIKey of ethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is YGNIPZUIXQECMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-4-19-15(18)12-13(16)21-14(17-12)10-6-5-7-11(8-10)20-9(2)3/h5-9H,4,16H2,1-3H3.
What are the key properties of ethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate?
ethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 66007853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).