[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate

C16H12ClNO4 — CID 40752868

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate
SMILESO=C(Cc1ccccc1Cl)OCc1cc(-c2ccco2)on1
InChIInChI=1S/C16H12ClNO4/c17-13-5-2-1-4-11(13)8-16(19)21-10-12-9-15(22-18-12)14-6-3-7-20-14/h1-7,9H,8,10H2
InChIKeyRMNMJKFXRHXPPC-UHFFFAOYSA-N
MW317.73 g/mol
LogP3.87
Rot. Bonds5

About [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate (PubChem CID 40752868) has the molecular formula C16H12ClNO4 and a molecular weight of 317.73 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate
PubChem CID40752868
Molecular FormulaC16H12ClNO4
Molecular Weight317.73 g/mol
Exact Mass317.05
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate
SMILESO=C(Cc1ccccc1Cl)OCc1cc(-c2ccco2)on1
InChIInChI=1S/C16H12ClNO4/c17-13-5-2-1-4-11(13)8-16(19)21-10-12-9-15(22-18-12)14-6-3-7-20-14/h1-7,9H,8,10H2
InChIKeyRMNMJKFXRHXPPC-UHFFFAOYSA-N
XLogP3.87
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methoxy-5-methylphenyl)acetate
CID 8543519
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-benzoylbenzoate
CID 8808452
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8632879
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(3-bromophenoxy)propanoate
CID 8887141
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 8577182
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 8577180
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate
CID 8809666
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8631148
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine
CID 7060533
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 20906383
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2H-chromene-3-carboxylate
CID 8749200
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 53398902

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate (CID 40752868) is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate is O=C(Cc1ccccc1Cl)OCc1cc(-c2ccco2)on1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate?
The InChIKey is RMNMJKFXRHXPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO4/c17-13-5-2-1-4-11(13)8-16(19)21-10-12-9-15(22-18-12)14-6-3-7-20-14/h1-7,9H,8,10H2.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate?
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate has a molecular weight of 317.73 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate is sourced from PubChem (CID 40752868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).