5-[[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamoyloxymethyl]-1,2-oxazole-3-carboxylic acid

C24H23FN4O5 — CID 68763472

IUPAC5-[[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamoyloxymethyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(NC1CC2(CCN(c3ccc(-c4ccc(F)cc4)cn3)C2)C1)OCc1cc(C(=O)O)no1
InChIInChI=1S/C24H23FN4O5/c25-17-4-1-15(2-5-17)16-3-6-21(26-12-16)29-8-7-24(14-29)10-18(11-24)27-23(32)33-13-19-9-20(22(30)31)28-34-19/h1-6,9,12,18H,7-8,10-11,13-14H2,(H,27,32)(H,30,31)
InChIKeyUCWKVCYUKFDCAO-UHFFFAOYSA-N
MW466.47 g/mol
LogP3.86
Rot. Bonds6

About 5-[[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamoyloxymethyl]-1,2-oxazole-3-carboxylic acid

5-[[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamoyloxymethyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 68763472) has the molecular formula C24H23FN4O5 and a molecular weight of 466.47 g/mol. Its IUPAC name is 5-[[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamoyloxymethyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamoyloxymethyl]-1,2-oxazole-3-carboxylic acid
PubChem CID68763472
Molecular FormulaC24H23FN4O5
Molecular Weight466.47 g/mol
Exact Mass466.17
IUPAC Name5-[[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamoyloxymethyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(NC1CC2(CCN(c3ccc(-c4ccc(F)cc4)cn3)C2)C1)OCc1cc(C(=O)O)no1
InChIInChI=1S/C24H23FN4O5/c25-17-4-1-15(2-5-17)16-3-6-21(26-12-16)29-8-7-24(14-29)10-18(11-24)27-23(32)33-13-19-9-20(22(30)31)28-34-19/h1-6,9,12,18H,7-8,10-11,13-14H2,(H,27,32)(H,30,31)
InChIKeyUCWKVCYUKFDCAO-UHFFFAOYSA-N
XLogP3.86
TPSA117.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamoyloxymethyl]-1,2-oxazole-3-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamoyloxymethyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamoyloxymethyl]-1,2-oxazole-3-carboxylic acid (CID 68763472) is 5-[[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamoyloxymethyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamoyloxymethyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamoyloxymethyl]-1,2-oxazole-3-carboxylic acid is O=C(NC1CC2(CCN(c3ccc(-c4ccc(F)cc4)cn3)C2)C1)OCc1cc(C(=O)O)no1.
What is the InChIKey of 5-[[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamoyloxymethyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is UCWKVCYUKFDCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O5/c25-17-4-1-15(2-5-17)16-3-6-21(26-12-16)29-8-7-24(14-29)10-18(11-24)27-23(32)33-13-19-9-20(22(30)31)28-34-19/h1-6,9,12,18H,7-8,10-11,13-14H2,(H,27,32)(H,30,31).
What are the key properties of 5-[[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamoyloxymethyl]-1,2-oxazole-3-carboxylic acid?
5-[[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamoyloxymethyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 466.47 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamoyloxymethyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 68763472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).