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

C22H24N6O4 — CID 58539924

IUPAC2-[5-[3-[4-[2-(1-methylcyclopropyl)benzoyl]piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
SMILESCC1(c2ccccc2C(=O)C2CCN(c3cc(-c4nnn(CC(=O)O)n4)on3)CC2)CC1
InChIInChI=1S/C22H24N6O4/c1-22(8-9-22)16-5-3-2-4-15(16)20(31)14-6-10-27(11-7-14)18-12-17(32-25-18)21-23-26-28(24-21)13-19(29)30/h2-5,12,14H,6-11,13H2,1H3,(H,29,30)
InChIKeyAGKILUWMSBZZQZ-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.56
Rot. Bonds7

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

2-[5-[3-[4-[2-(1-methylcyclopropyl)benzoyl]piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid (PubChem CID 58539924) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-[5-[3-[4-[2-(1-methylcyclopropyl)benzoyl]piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[3-[4-[2-(1-methylcyclopropyl)benzoyl]piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
PubChem CID58539924
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Name2-[5-[3-[4-[2-(1-methylcyclopropyl)benzoyl]piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
SMILESCC1(c2ccccc2C(=O)C2CCN(c3cc(-c4nnn(CC(=O)O)n4)on3)CC2)CC1
InChIInChI=1S/C22H24N6O4/c1-22(8-9-22)16-5-3-2-4-15(16)20(31)14-6-10-27(11-7-14)18-12-17(32-25-18)21-23-26-28(24-21)13-19(29)30/h2-5,12,14H,6-11,13H2,1H3,(H,29,30)
InChIKeyAGKILUWMSBZZQZ-UHFFFAOYSA-N
XLogP2.56
TPSA127.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[5-[3-[4-(5-fluoro-2-methylbenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
CID 58539741
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-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-[4-(5-bromo-2-methylphenoxy)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
CID 158005296
2-[5-[2-[4-[2-(trifluoromethoxy)benzoyl]piperidin-1-yl]pyrimidin-5-yl]tetrazol-2-yl]acetic acid
CID 58539929
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-phenyltetrazol-2-yl)acetic acid
CID 1086563
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-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid
CID 132537677
2-[5-[3-[3-(2-bromo-5-fluorophenoxy)cyclopentyl]oxy-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
CID 68594563
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[4-[2-(1-methylcyclopropyl)benzoyl]piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[3-[4-[2-(1-methylcyclopropyl)benzoyl]piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid (CID 58539924) is 2-[5-[3-[4-[2-(1-methylcyclopropyl)benzoyl]piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[3-[4-[2-(1-methylcyclopropyl)benzoyl]piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[3-[4-[2-(1-methylcyclopropyl)benzoyl]piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid is CC1(c2ccccc2C(=O)C2CCN(c3cc(-c4nnn(CC(=O)O)n4)on3)CC2)CC1.
What is the InChIKey of 2-[5-[3-[4-[2-(1-methylcyclopropyl)benzoyl]piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid?
The InChIKey is AGKILUWMSBZZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-22(8-9-22)16-5-3-2-4-15(16)20(31)14-6-10-27(11-7-14)18-12-17(32-25-18)21-23-26-28(24-21)13-19(29)30/h2-5,12,14H,6-11,13H2,1H3,(H,29,30).
What are the key properties of 2-[5-[3-[4-[2-(1-methylcyclopropyl)benzoyl]piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid?
2-[5-[3-[4-[2-(1-methylcyclopropyl)benzoyl]piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid has a molecular weight of 436.47 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[4-[2-(1-methylcyclopropyl)benzoyl]piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid is sourced from PubChem (CID 58539924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).