2-[5-[3-[4-(5-fluoro-2-methylbenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid

C19H19FN6O4 — CID 58539741

IUPAC2-[5-[3-[4-(5-fluoro-2-methylbenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
SMILESCc1ccc(F)cc1C(=O)C1CCN(c2cc(-c3nnn(CC(=O)O)n3)on2)CC1
InChIInChI=1S/C19H19FN6O4/c1-11-2-3-13(20)8-14(11)18(29)12-4-6-25(7-5-12)16-9-15(30-23-16)19-21-24-26(22-19)10-17(27)28/h2-3,8-9,12H,4-7,10H2,1H3,(H,27,28)
InChIKeyGVXWYKOUEIGZDE-UHFFFAOYSA-N
MW414.40 g/mol
LogP1.96
Rot. Bonds6

About 2-[5-[3-[4-(5-fluoro-2-methylbenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid

2-[5-[3-[4-(5-fluoro-2-methylbenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid (PubChem CID 58539741) has the molecular formula C19H19FN6O4 and a molecular weight of 414.40 g/mol. Its IUPAC name is 2-[5-[3-[4-(5-fluoro-2-methylbenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[3-[4-(5-fluoro-2-methylbenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
PubChem CID58539741
Molecular FormulaC19H19FN6O4
Molecular Weight414.40 g/mol
Exact Mass414.15
IUPAC Name2-[5-[3-[4-(5-fluoro-2-methylbenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
SMILESCc1ccc(F)cc1C(=O)C1CCN(c2cc(-c3nnn(CC(=O)O)n3)on2)CC1
InChIInChI=1S/C19H19FN6O4/c1-11-2-3-13(20)8-14(11)18(29)12-4-6-25(7-5-12)16-9-15(30-23-16)19-21-24-26(22-19)10-17(27)28/h2-3,8-9,12H,4-7,10H2,1H3,(H,27,28)
InChIKeyGVXWYKOUEIGZDE-UHFFFAOYSA-N
XLogP1.96
TPSA127.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[5-[3-[4-(5-fluoro-2-methylbenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid with MolForge

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Related Compounds

1-[5-[3-[4-(2-ethyl-5-fluorobenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]propan-2-one
CID 58539862
2-[5-[3-[4-[2-(1-methylcyclopropyl)benzoyl]piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
CID 58539924
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-piperazin-1-yl-1,2-oxazol-5-yl)tetrazol-2-yl]acetic acid
CID 68754005
3-[5-[3-[4-[2-chloro-5-(trifluoromethyl)benzoyl]piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]propanoic acid
CID 91574152
2-[5-[3-[3-(2-bromo-5-fluorophenoxy)cyclopentyl]oxy-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
CID 68594563
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
2-[5-[2-[4-[2-(trifluoromethoxy)benzoyl]piperidin-1-yl]pyrimidin-5-yl]tetrazol-2-yl]acetic acid
CID 58539929
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-[3-[5-fluoro-2-(trifluoromethyl)phenoxy]propoxy]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
CID 59321691
(4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone
CID 105095400
ethyl 2-[5-[5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,2,4-oxadiazol-3-yl]tetrazol-2-yl]acetate
CID 90967015

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[4-(5-fluoro-2-methylbenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[3-[4-(5-fluoro-2-methylbenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid (CID 58539741) is 2-[5-[3-[4-(5-fluoro-2-methylbenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[3-[4-(5-fluoro-2-methylbenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[3-[4-(5-fluoro-2-methylbenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid is Cc1ccc(F)cc1C(=O)C1CCN(c2cc(-c3nnn(CC(=O)O)n3)on2)CC1.
What is the InChIKey of 2-[5-[3-[4-(5-fluoro-2-methylbenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid?
The InChIKey is GVXWYKOUEIGZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O4/c1-11-2-3-13(20)8-14(11)18(29)12-4-6-25(7-5-12)16-9-15(30-23-16)19-21-24-26(22-19)10-17(27)28/h2-3,8-9,12H,4-7,10H2,1H3,(H,27,28).
What are the key properties of 2-[5-[3-[4-(5-fluoro-2-methylbenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid?
2-[5-[3-[4-(5-fluoro-2-methylbenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid has a molecular weight of 414.40 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[4-(5-fluoro-2-methylbenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid is sourced from PubChem (CID 58539741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).