N-[(3S,4S)-1-cyclohexyl-3-methoxypiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide

C22H27F2N3O3 — CID 162647920

IUPACN-[(3S,4S)-1-cyclohexyl-3-methoxypiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCO[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C22H27F2N3O3/c1-29-21-13-27(15-5-3-2-4-6-15)10-9-18(21)25-22(28)19-12-20(30-26-19)16-8-7-14(23)11-17(16)24/h7-8,11-12,15,18,21H,2-6,9-10,13H2,1H3,(H,25,28)/t18-,21-/m0/s1
InChIKeyTUAXPSAOYJXKFV-RXVVDRJESA-N
MW419.47 g/mol
LogP3.77
Rot. Bonds5

About N-[(3S,4S)-1-cyclohexyl-3-methoxypiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide

N-[(3S,4S)-1-cyclohexyl-3-methoxypiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 162647920) has the molecular formula C22H27F2N3O3 and a molecular weight of 419.47 g/mol. Its IUPAC name is N-[(3S,4S)-1-cyclohexyl-3-methoxypiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-cyclohexyl-3-methoxypiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID162647920
Molecular FormulaC22H27F2N3O3
Molecular Weight419.47 g/mol
Exact Mass419.20
IUPAC NameN-[(3S,4S)-1-cyclohexyl-3-methoxypiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCO[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C22H27F2N3O3/c1-29-21-13-27(15-5-3-2-4-6-15)10-9-18(21)25-22(28)19-12-20(30-26-19)16-8-7-14(23)11-17(16)24/h7-8,11-12,15,18,21H,2-6,9-10,13H2,1H3,(H,25,28)/t18-,21-/m0/s1
InChIKeyTUAXPSAOYJXKFV-RXVVDRJESA-N
XLogP3.77
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4S)-1-cyclohexyl-3-methoxypiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide 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 N-[(3S,4S)-1-cyclohexyl-3-methoxypiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3S,4S)-1-cyclohexyl-3-methoxypiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide (CID 162647920) is N-[(3S,4S)-1-cyclohexyl-3-methoxypiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3S,4S)-1-cyclohexyl-3-methoxypiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3S,4S)-1-cyclohexyl-3-methoxypiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide is CO[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1.
What is the InChIKey of N-[(3S,4S)-1-cyclohexyl-3-methoxypiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is TUAXPSAOYJXKFV-RXVVDRJESA-N. The full InChI is InChI=1S/C22H27F2N3O3/c1-29-21-13-27(15-5-3-2-4-6-15)10-9-18(21)25-22(28)19-12-20(30-26-19)16-8-7-14(23)11-17(16)24/h7-8,11-12,15,18,21H,2-6,9-10,13H2,1H3,(H,25,28)/t18-,21-/m0/s1.
What are the key properties of N-[(3S,4S)-1-cyclohexyl-3-methoxypiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
N-[(3S,4S)-1-cyclohexyl-3-methoxypiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 419.47 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-cyclohexyl-3-methoxypiperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 162647920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).