ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]butanoate

C19H18ClNO4 — CID 14091140

IUPACethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]butanoate
SMILESCCOC(=O)C(CC)c1nc(-c2ccc(Cl)cc2)oc1-c1ccco1
InChIInChI=1S/C19H18ClNO4/c1-3-14(19(22)23-4-2)16-17(15-6-5-11-24-15)25-18(21-16)12-7-9-13(20)10-8-12/h5-11,14H,3-4H2,1-2H3
InChIKeyVJFFJWITUZDZBQ-UHFFFAOYSA-N
MW359.81 g/mol
LogP5.31
Rot. Bonds6

About ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]butanoate

ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]butanoate (PubChem CID 14091140) has the molecular formula C19H18ClNO4 and a molecular weight of 359.81 g/mol. Its IUPAC name is ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]butanoate.

Molecular Properties

Compound Nameethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]butanoate
PubChem CID14091140
Molecular FormulaC19H18ClNO4
Molecular Weight359.81 g/mol
Exact Mass359.09
IUPAC Nameethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]butanoate
SMILESCCOC(=O)C(CC)c1nc(-c2ccc(Cl)cc2)oc1-c1ccco1
InChIInChI=1S/C19H18ClNO4/c1-3-14(19(22)23-4-2)16-17(15-6-5-11-24-15)25-18(21-16)12-7-9-13(20)10-8-12/h5-11,14H,3-4H2,1-2H3
InChIKeyVJFFJWITUZDZBQ-UHFFFAOYSA-N
XLogP5.31
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.81
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]butanoate?
The IUPAC name of ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]butanoate (CID 14091140) is ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]butanoate.
What is the SMILES notation for ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]butanoate?
The canonical SMILES for ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]butanoate is CCOC(=O)C(CC)c1nc(-c2ccc(Cl)cc2)oc1-c1ccco1.
What is the InChIKey of ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]butanoate?
The InChIKey is VJFFJWITUZDZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO4/c1-3-14(19(22)23-4-2)16-17(15-6-5-11-24-15)25-18(21-16)12-7-9-13(20)10-8-12/h5-11,14H,3-4H2,1-2H3.
What are the key properties of ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]butanoate?
ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]butanoate has a molecular weight of 359.81 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]butanoate is sourced from PubChem (CID 14091140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).