[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate

C20H15ClN2O5 — CID 46803020

IUPAC[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
SMILESO=C(CCn1c(=O)oc2ccccc21)OCc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C20H15ClN2O5/c21-14-7-5-13(6-8-14)16-11-15(28-22-16)12-26-19(24)9-10-23-17-3-1-2-4-18(17)27-20(23)25/h1-8,11H,9-10,12H2
InChIKeyUQFMJDRWINFYJH-UHFFFAOYSA-N
MW398.80 g/mol
LogP4.04
Rot. Bonds6

About [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate

[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate (PubChem CID 46803020) has the molecular formula C20H15ClN2O5 and a molecular weight of 398.80 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
PubChem CID46803020
Molecular FormulaC20H15ClN2O5
Molecular Weight398.80 g/mol
Exact Mass398.07
IUPAC Name[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
SMILESO=C(CCn1c(=O)oc2ccccc21)OCc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C20H15ClN2O5/c21-14-7-5-13(6-8-14)16-11-15(28-22-16)12-26-19(24)9-10-23-17-3-1-2-4-18(17)27-20(23)25/h1-8,11H,9-10,12H2
InChIKeyUQFMJDRWINFYJH-UHFFFAOYSA-N
XLogP4.04
TPSA87.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.80
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3,4-dichlorophenyl)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 9380892
[2-(3-chloroanilino)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8725899
[2-(2-fluorophenyl)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8726638
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8726558
ethyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 121014059
(2-benzamido-2-oxoethyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8727468
[2-(4-bromoanilino)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 27705615
[2-(difluoromethoxy)phenyl]methyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 43051005
3-[3-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 3669581
(3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401044
[(E)-3-phenylprop-2-enyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8727983
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8726210

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
The IUPAC name of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate (CID 46803020) is [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate.
What is the SMILES notation for [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
The canonical SMILES for [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate is O=C(CCn1c(=O)oc2ccccc21)OCc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
The InChIKey is UQFMJDRWINFYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O5/c21-14-7-5-13(6-8-14)16-11-15(28-22-16)12-26-19(24)9-10-23-17-3-1-2-4-18(17)27-20(23)25/h1-8,11H,9-10,12H2.
What are the key properties of [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate has a molecular weight of 398.80 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate is sourced from PubChem (CID 46803020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).