[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(3-bromophenoxy)propanoate

C17H14BrNO5 — CID 8887141

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(3-bromophenoxy)propanoate
SMILESO=C(CCOc1cccc(Br)c1)OCc1cc(-c2ccco2)on1
InChIInChI=1S/C17H14BrNO5/c18-12-3-1-4-14(9-12)21-8-6-17(20)23-11-13-10-16(24-19-13)15-5-2-7-22-15/h1-5,7,9-10H,6,8,11H2
InChIKeyAWCUUUAYKBMSKV-UHFFFAOYSA-N
MW392.21 g/mol
LogP4.21
Rot. Bonds7

About [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(3-bromophenoxy)propanoate

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(3-bromophenoxy)propanoate (PubChem CID 8887141) has the molecular formula C17H14BrNO5 and a molecular weight of 392.21 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(3-bromophenoxy)propanoate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(3-bromophenoxy)propanoate
PubChem CID8887141
Molecular FormulaC17H14BrNO5
Molecular Weight392.21 g/mol
Exact Mass391.01
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(3-bromophenoxy)propanoate
SMILESO=C(CCOc1cccc(Br)c1)OCc1cc(-c2ccco2)on1
InChIInChI=1S/C17H14BrNO5/c18-12-3-1-4-14(9-12)21-8-6-17(20)23-11-13-10-16(24-19-13)15-5-2-7-22-15/h1-5,7,9-10H,6,8,11H2
InChIKeyAWCUUUAYKBMSKV-UHFFFAOYSA-N
XLogP4.21
TPSA74.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.21
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate
CID 40752868
[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 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8631148
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]benzoic acid
CID 43214757
2-(3-chlorophenoxy)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylethanamine
CID 112798638
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]-4-methoxybenzamide
CID 18089227
[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]methanamine
CID 7060533
[2-(carbamoylamino)-2-oxoethyl] 3-(3-bromophenoxy)propanoate
CID 7880305
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 53398902
[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-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63576178

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(3-bromophenoxy)propanoate?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(3-bromophenoxy)propanoate (CID 8887141) is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(3-bromophenoxy)propanoate.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(3-bromophenoxy)propanoate?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(3-bromophenoxy)propanoate is O=C(CCOc1cccc(Br)c1)OCc1cc(-c2ccco2)on1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(3-bromophenoxy)propanoate?
The InChIKey is AWCUUUAYKBMSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO5/c18-12-3-1-4-14(9-12)21-8-6-17(20)23-11-13-10-16(24-19-13)15-5-2-7-22-15/h1-5,7,9-10H,6,8,11H2.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(3-bromophenoxy)propanoate?
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(3-bromophenoxy)propanoate has a molecular weight of 392.21 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(3-bromophenoxy)propanoate is sourced from PubChem (CID 8887141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).