ethyl 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate

C17H13ClFNO4 — CID 13015713

IUPACethyl 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate
SMILESCCOC(=O)COc1ccc2c(-c3ccccc3F)noc2c1Cl
InChIInChI=1S/C17H13ClFNO4/c1-2-22-14(21)9-23-13-8-7-11-16(20-24-17(11)15(13)18)10-5-3-4-6-12(10)19/h3-8H,2,9H2,1H3
InChIKeyJYIPVRDRVOUWKG-UHFFFAOYSA-N
MW349.75 g/mol
LogP4.23
Rot. Bonds5

About ethyl 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate

ethyl 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate (PubChem CID 13015713) has the molecular formula C17H13ClFNO4 and a molecular weight of 349.75 g/mol. Its IUPAC name is ethyl 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate
PubChem CID13015713
Molecular FormulaC17H13ClFNO4
Molecular Weight349.75 g/mol
Exact Mass349.05
IUPAC Nameethyl 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate
SMILESCCOC(=O)COc1ccc2c(-c3ccccc3F)noc2c1Cl
InChIInChI=1S/C17H13ClFNO4/c1-2-22-14(21)9-23-13-8-7-11-16(20-24-17(11)15(13)18)10-5-3-4-6-12(10)19/h3-8H,2,9H2,1H3
InChIKeyJYIPVRDRVOUWKG-UHFFFAOYSA-N
XLogP4.23
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.75
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]-3-phenylpropanoic acid
CID 70416091
ethyl 2-[[3-(2,6-difluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate
CID 54100658
2-[[7-chloro-3-(4-hydroxyphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid
CID 135575487
ethyl 2-[4-chloro-2-(3-fluorobenzoyl)phenoxy]acetate
CID 58962617
ethyl 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate
CID 14012526
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
ethyl 2-(2-amino-5-chlorophenoxy)acetate
CID 62305338
ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate
CID 11289858
2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid
CID 13015739
ethyl 2-[[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
CID 44824405
2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]acetic acid;ethyl 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]acetate
CID 161411861

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate?
The IUPAC name of ethyl 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate (CID 13015713) is ethyl 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate?
The canonical SMILES for ethyl 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate is CCOC(=O)COc1ccc2c(-c3ccccc3F)noc2c1Cl.
What is the InChIKey of ethyl 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate?
The InChIKey is JYIPVRDRVOUWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO4/c1-2-22-14(21)9-23-13-8-7-11-16(20-24-17(11)15(13)18)10-5-3-4-6-12(10)19/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate?
ethyl 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate has a molecular weight of 349.75 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate is sourced from PubChem (CID 13015713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).