2-[5-[3-[3-(2-bromo-5-fluorophenoxy)cyclopentyl]oxy-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid

C17H15BrFN5O5 — CID 68594563

IUPAC2-[5-[3-[3-(2-bromo-5-fluorophenoxy)cyclopentyl]oxy-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
SMILESO=C(O)Cn1nnc(-c2cc(OC3CCC(Oc4cc(F)ccc4Br)C3)no2)n1
InChIInChI=1S/C17H15BrFN5O5/c18-12-4-1-9(19)5-13(12)27-10-2-3-11(6-10)28-15-7-14(29-22-15)17-20-23-24(21-17)8-16(25)26/h1,4-5,7,10-11H,2-3,6,8H2,(H,25,26)
InChIKeyAQWJHBYVLZDSIO-UHFFFAOYSA-N
MW468.24 g/mol
LogP2.69
Rot. Bonds7

About 2-[5-[3-[3-(2-bromo-5-fluorophenoxy)cyclopentyl]oxy-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid

2-[5-[3-[3-(2-bromo-5-fluorophenoxy)cyclopentyl]oxy-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid (PubChem CID 68594563) has the molecular formula C17H15BrFN5O5 and a molecular weight of 468.24 g/mol. Its IUPAC name is 2-[5-[3-[3-(2-bromo-5-fluorophenoxy)cyclopentyl]oxy-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[3-[3-(2-bromo-5-fluorophenoxy)cyclopentyl]oxy-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
PubChem CID68594563
Molecular FormulaC17H15BrFN5O5
Molecular Weight468.24 g/mol
Exact Mass467.02
IUPAC Name2-[5-[3-[3-(2-bromo-5-fluorophenoxy)cyclopentyl]oxy-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
SMILESO=C(O)Cn1nnc(-c2cc(OC3CCC(Oc4cc(F)ccc4Br)C3)no2)n1
InChIInChI=1S/C17H15BrFN5O5/c18-12-4-1-9(19)5-13(12)27-10-2-3-11(6-10)28-15-7-14(29-22-15)17-20-23-24(21-17)8-16(25)26/h1,4-5,7,10-11H,2-3,6,8H2,(H,25,26)
InChIKeyAQWJHBYVLZDSIO-UHFFFAOYSA-N
XLogP2.69
TPSA125.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[5-[3-[3-[5-fluoro-2-(trifluoromethyl)phenoxy]propoxy]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
CID 59321691
ethyl 2-[5-[5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,2,4-oxadiazol-3-yl]tetrazol-2-yl]acetate
CID 90967015
2-[5-[3-[4-(5-bromo-2-methylphenoxy)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
CID 158005296
2-[5-[3-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid;2-[2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]acetic acid
CID 159447810
2-[5-[3-[4-(5-fluoro-2-methylbenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
CID 58539741
2-[5-[3-[3-(2,5-dichlorophenoxy)propoxy]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
CID 59321725
2-[5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]triazolo[4,5-d]pyrimidin-2-yl]acetic acid
CID 25204790
2-[5-[2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,3-oxazol-4-yl]tetrazol-1-yl]acetic acid
CID 59738186
2-[5-[2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-4,5-dihydro-1,3-oxazol-4-yl]tetrazol-1-yl]acetic acid
CID 71089126
2-[5-(3-piperazin-1-yl-1,2-oxazol-5-yl)tetrazol-2-yl]acetic acid
CID 68754005
2-[5-[3-[5-(2-chloro-5-fluorophenyl)-1-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
CID 91527204
1-[5-[3-[4-(2-ethyl-5-fluorobenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]propan-2-one
CID 58539862

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[3-(2-bromo-5-fluorophenoxy)cyclopentyl]oxy-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[3-[3-(2-bromo-5-fluorophenoxy)cyclopentyl]oxy-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid (CID 68594563) is 2-[5-[3-[3-(2-bromo-5-fluorophenoxy)cyclopentyl]oxy-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[3-[3-(2-bromo-5-fluorophenoxy)cyclopentyl]oxy-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[3-[3-(2-bromo-5-fluorophenoxy)cyclopentyl]oxy-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid is O=C(O)Cn1nnc(-c2cc(OC3CCC(Oc4cc(F)ccc4Br)C3)no2)n1.
What is the InChIKey of 2-[5-[3-[3-(2-bromo-5-fluorophenoxy)cyclopentyl]oxy-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid?
The InChIKey is AQWJHBYVLZDSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN5O5/c18-12-4-1-9(19)5-13(12)27-10-2-3-11(6-10)28-15-7-14(29-22-15)17-20-23-24(21-17)8-16(25)26/h1,4-5,7,10-11H,2-3,6,8H2,(H,25,26).
What are the key properties of 2-[5-[3-[3-(2-bromo-5-fluorophenoxy)cyclopentyl]oxy-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid?
2-[5-[3-[3-(2-bromo-5-fluorophenoxy)cyclopentyl]oxy-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid has a molecular weight of 468.24 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[3-(2-bromo-5-fluorophenoxy)cyclopentyl]oxy-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid is sourced from PubChem (CID 68594563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).