ethyl 2-[5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazin-2-yl]acetate

C17H19FN2O3 — CID 178073337

IUPACethyl 2-[5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazin-2-yl]acetate
SMILESCCOC(=O)Cc1cnc(-c2ccc(F)cc2OC(C)C)cn1
InChIInChI=1S/C17H19FN2O3/c1-4-22-17(21)8-13-9-20-15(10-19-13)14-6-5-12(18)7-16(14)23-11(2)3/h5-7,9-11H,4,8H2,1-3H3
InChIKeyOGJPQFDINPCVOW-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.18
Rot. Bonds6

About ethyl 2-[5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazin-2-yl]acetate

ethyl 2-[5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazin-2-yl]acetate (PubChem CID 178073337) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is ethyl 2-[5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazin-2-yl]acetate
PubChem CID178073337
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Nameethyl 2-[5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazin-2-yl]acetate
SMILESCCOC(=O)Cc1cnc(-c2ccc(F)cc2OC(C)C)cn1
InChIInChI=1S/C17H19FN2O3/c1-4-22-17(21)8-13-9-20-15(10-19-13)14-6-5-12(18)7-16(14)23-11(2)3/h5-7,9-11H,4,8H2,1-3H3
InChIKeyOGJPQFDINPCVOW-UHFFFAOYSA-N
XLogP3.18
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazine
CID 178072988
ethyl 2-[2-(bromomethyl)-5-fluorophenoxy]acetate
CID 21035356
ethyl 5-fluoro-2-propan-2-yloxybenzoate
CID 82551429
ethyl 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 81273605
ethyl 3-(2,5-difluorophenoxy)propanoate
CID 63268646
ethyl 2-(5-fluoro-4-iodo-2-pyridinyl)acetate
CID 133096810
ethyl (3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 171224920
ethyl 2-[5-(1-sulfanylethyl)-2-pyridinyl]acetate
CID 139459101
ethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate
CID 82553188
2-(1,1-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine
CID 178073480
ethyl 2-[2-[(3Z,5Z)-5-bromo-3-fluoro-6-hydroxyhepta-3,5-dien-2-yl]oxy-4-fluorophenyl]acetate
CID 139576612
ethyl 2-(5-amino-4-methyl-2-pyridinyl)acetate
CID 133098372

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazin-2-yl]acetate?
The IUPAC name of ethyl 2-[5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazin-2-yl]acetate (CID 178073337) is ethyl 2-[5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazin-2-yl]acetate is CCOC(=O)Cc1cnc(-c2ccc(F)cc2OC(C)C)cn1.
What is the InChIKey of ethyl 2-[5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazin-2-yl]acetate?
The InChIKey is OGJPQFDINPCVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-4-22-17(21)8-13-9-20-15(10-19-13)14-6-5-12(18)7-16(14)23-11(2)3/h5-7,9-11H,4,8H2,1-3H3.
What are the key properties of ethyl 2-[5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazin-2-yl]acetate?
ethyl 2-[5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazin-2-yl]acetate has a molecular weight of 318.35 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazin-2-yl]acetate is sourced from PubChem (CID 178073337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).