1-[5-[3-[4-(2-ethyl-5-fluorobenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]propan-2-one

C21H23FN6O3 — CID 58539862

IUPAC1-[5-[3-[4-(2-ethyl-5-fluorobenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]propan-2-one
SMILESCCc1ccc(F)cc1C(=O)C1CCN(c2cc(-c3nnn(CC(C)=O)n3)on2)CC1
InChIInChI=1S/C21H23FN6O3/c1-3-14-4-5-16(22)10-17(14)20(30)15-6-8-27(9-7-15)19-11-18(31-25-19)21-23-26-28(24-21)12-13(2)29/h4-5,10-11,15H,3,6-9,12H2,1-2H3
InChIKeyVBSFUHPYNMQJMJ-UHFFFAOYSA-N
MW426.45 g/mol
LogP2.72
Rot. Bonds7

About 1-[5-[3-[4-(2-ethyl-5-fluorobenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]propan-2-one

1-[5-[3-[4-(2-ethyl-5-fluorobenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]propan-2-one (PubChem CID 58539862) has the molecular formula C21H23FN6O3 and a molecular weight of 426.45 g/mol. Its IUPAC name is 1-[5-[3-[4-(2-ethyl-5-fluorobenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-[3-[4-(2-ethyl-5-fluorobenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]propan-2-one
PubChem CID58539862
Molecular FormulaC21H23FN6O3
Molecular Weight426.45 g/mol
Exact Mass426.18
IUPAC Name1-[5-[3-[4-(2-ethyl-5-fluorobenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]propan-2-one
SMILESCCc1ccc(F)cc1C(=O)C1CCN(c2cc(-c3nnn(CC(C)=O)n3)on2)CC1
InChIInChI=1S/C21H23FN6O3/c1-3-14-4-5-16(22)10-17(14)20(30)15-6-8-27(9-7-15)19-11-18(31-25-19)21-23-26-28(24-21)12-13(2)29/h4-5,10-11,15H,3,6-9,12H2,1-2H3
InChIKeyVBSFUHPYNMQJMJ-UHFFFAOYSA-N
XLogP2.72
TPSA107.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[5-[3-[4-(2-ethyl-5-fluorobenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-[5-[3-[4-[2-(1-methylcyclopropyl)benzoyl]piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
CID 58539924
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-piperazin-1-yl-1,2-oxazol-5-yl)tetrazol-2-yl]acetic acid
CID 68754005
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-[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
ethyl 2-[5-[5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,2,4-oxadiazol-3-yl]tetrazol-2-yl]acetate
CID 90967015
[1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 134107288
2-[5-[2-[4-[2-(trifluoromethoxy)benzoyl]piperidin-1-yl]pyrimidin-5-yl]tetrazol-2-yl]acetic acid
CID 58539929
N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 86887445

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[4-(2-ethyl-5-fluorobenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]propan-2-one?
The IUPAC name of 1-[5-[3-[4-(2-ethyl-5-fluorobenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]propan-2-one (CID 58539862) is 1-[5-[3-[4-(2-ethyl-5-fluorobenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-[3-[4-(2-ethyl-5-fluorobenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]propan-2-one?
The canonical SMILES for 1-[5-[3-[4-(2-ethyl-5-fluorobenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]propan-2-one is CCc1ccc(F)cc1C(=O)C1CCN(c2cc(-c3nnn(CC(C)=O)n3)on2)CC1.
What is the InChIKey of 1-[5-[3-[4-(2-ethyl-5-fluorobenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]propan-2-one?
The InChIKey is VBSFUHPYNMQJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O3/c1-3-14-4-5-16(22)10-17(14)20(30)15-6-8-27(9-7-15)19-11-18(31-25-19)21-23-26-28(24-21)12-13(2)29/h4-5,10-11,15H,3,6-9,12H2,1-2H3.
What are the key properties of 1-[5-[3-[4-(2-ethyl-5-fluorobenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]propan-2-one?
1-[5-[3-[4-(2-ethyl-5-fluorobenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]propan-2-one has a molecular weight of 426.45 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[4-(2-ethyl-5-fluorobenzoyl)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]propan-2-one is sourced from PubChem (CID 58539862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).