(3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate

C24H26FN5O4 — CID 46200895

IUPAC(3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
SMILESNC(=O)c1cc(COC(=O)NCCC2CCN(c3ccc(-c4ccc(F)cc4)cn3)CC2)on1
InChIInChI=1S/C24H26FN5O4/c25-19-4-1-17(2-5-19)18-3-6-22(28-14-18)30-11-8-16(9-12-30)7-10-27-24(32)33-15-20-13-21(23(26)31)29-34-20/h1-6,13-14,16H,7-12,15H2,(H2,26,31)(H,27,32)
InChIKeyAICZICBRNZXVPT-UHFFFAOYSA-N
MW467.50 g/mol
LogP3.51
Rot. Bonds8

About (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate

(3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate (PubChem CID 46200895) has the molecular formula C24H26FN5O4 and a molecular weight of 467.50 g/mol. Its IUPAC name is (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name(3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
PubChem CID46200895
Molecular FormulaC24H26FN5O4
Molecular Weight467.50 g/mol
Exact Mass467.20
IUPAC Name(3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
SMILESNC(=O)c1cc(COC(=O)NCCC2CCN(c3ccc(-c4ccc(F)cc4)cn3)CC2)on1
InChIInChI=1S/C24H26FN5O4/c25-19-4-1-17(2-5-19)18-3-6-22(28-14-18)30-11-8-16(9-12-30)7-10-27-24(32)33-15-20-13-21(23(26)31)29-34-20/h1-6,13-14,16H,7-12,15H2,(H2,26,31)(H,27,32)
InChIKeyAICZICBRNZXVPT-UHFFFAOYSA-N
XLogP3.51
TPSA123.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate 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 (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The IUPAC name of (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate (CID 46200895) is (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate is NC(=O)c1cc(COC(=O)NCCC2CCN(c3ccc(-c4ccc(F)cc4)cn3)CC2)on1.
What is the InChIKey of (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The InChIKey is AICZICBRNZXVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4/c25-19-4-1-17(2-5-19)18-3-6-22(28-14-18)30-11-8-16(9-12-30)7-10-27-24(32)33-15-20-13-21(23(26)31)29-34-20/h1-6,13-14,16H,7-12,15H2,(H2,26,31)(H,27,32).
What are the key properties of (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
(3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate has a molecular weight of 467.50 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyl-1,2-oxazol-5-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 46200895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).