2-[1-[5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid

C24H27FN6O4 — CID 66660959

IUPAC2-[1-[5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid
SMILESCNC(=O)c1cc(CN(CCC2CCN(c3cnc(-c4ccc(F)cc4)cn3)CC2)C(=O)O)on1
InChIInChI=1S/C24H27FN6O4/c1-26-23(32)20-12-19(35-29-20)15-31(24(33)34)11-8-16-6-9-30(10-7-16)22-14-27-21(13-28-22)17-2-4-18(25)5-3-17/h2-5,12-14,16H,6-11,15H2,1H3,(H,26,32)(H,33,34)
InChIKeyRRTVURMTHCMQJG-UHFFFAOYSA-N
MW482.52 g/mol
LogP3.42
Rot. Bonds8

About 2-[1-[5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid

2-[1-[5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid (PubChem CID 66660959) has the molecular formula C24H27FN6O4 and a molecular weight of 482.52 g/mol. Its IUPAC name is 2-[1-[5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid.

Molecular Properties

Compound Name2-[1-[5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid
PubChem CID66660959
Molecular FormulaC24H27FN6O4
Molecular Weight482.52 g/mol
Exact Mass482.21
IUPAC Name2-[1-[5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid
SMILESCNC(=O)c1cc(CN(CCC2CCN(c3cnc(-c4ccc(F)cc4)cn3)CC2)C(=O)O)on1
InChIInChI=1S/C24H27FN6O4/c1-26-23(32)20-12-19(35-29-20)15-31(24(33)34)11-8-16-6-9-30(10-7-16)22-14-27-21(13-28-22)17-2-4-18(25)5-3-17/h2-5,12-14,16H,6-11,15H2,1H3,(H,26,32)(H,33,34)
InChIKeyRRTVURMTHCMQJG-UHFFFAOYSA-N
XLogP3.42
TPSA124.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[1-[5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic 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 2-[1-[5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid?
The IUPAC name of 2-[1-[5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid (CID 66660959) is 2-[1-[5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid.
What is the SMILES notation for 2-[1-[5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid?
The canonical SMILES for 2-[1-[5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid is CNC(=O)c1cc(CN(CCC2CCN(c3cnc(-c4ccc(F)cc4)cn3)CC2)C(=O)O)on1.
What is the InChIKey of 2-[1-[5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid?
The InChIKey is RRTVURMTHCMQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O4/c1-26-23(32)20-12-19(35-29-20)15-31(24(33)34)11-8-16-6-9-30(10-7-16)22-14-27-21(13-28-22)17-2-4-18(25)5-3-17/h2-5,12-14,16H,6-11,15H2,1H3,(H,26,32)(H,33,34).
What are the key properties of 2-[1-[5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid?
2-[1-[5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid has a molecular weight of 482.52 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]ethyl-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid is sourced from PubChem (CID 66660959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).