N-[5-(4,4-difluoropiperidin-1-yl)-2-morpholin-4-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C23H23F2N7O3S — CID 126511299

IUPACN-[5-(4,4-difluoropiperidin-1-yl)-2-morpholin-4-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc2oc(N3CCOCC3)nc2cc1N1CCC(F)(F)CC1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C23H23F2N7O3S/c24-23(25)1-3-31(4-2-23)18-9-16-19(35-22(30-16)32-5-7-34-8-6-32)10-15(18)28-20(33)17-13-36-21(29-17)14-11-26-27-12-14/h9-13H,1-8H2,(H,26,27)(H,28,33)
InChIKeyAZQJZNPJYUGPQE-UHFFFAOYSA-N
MW515.55 g/mol
LogP4.00
Rot. Bonds5

About N-[5-(4,4-difluoropiperidin-1-yl)-2-morpholin-4-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[5-(4,4-difluoropiperidin-1-yl)-2-morpholin-4-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 126511299) has the molecular formula C23H23F2N7O3S and a molecular weight of 515.55 g/mol. Its IUPAC name is N-[5-(4,4-difluoropiperidin-1-yl)-2-morpholin-4-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(4,4-difluoropiperidin-1-yl)-2-morpholin-4-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID126511299
Molecular FormulaC23H23F2N7O3S
Molecular Weight515.55 g/mol
Exact Mass515.16
IUPAC NameN-[5-(4,4-difluoropiperidin-1-yl)-2-morpholin-4-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc2oc(N3CCOCC3)nc2cc1N1CCC(F)(F)CC1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C23H23F2N7O3S/c24-23(25)1-3-31(4-2-23)18-9-16-19(35-22(30-16)32-5-7-34-8-6-32)10-15(18)28-20(33)17-13-36-21(29-17)14-11-26-27-12-14/h9-13H,1-8H2,(H,26,27)(H,28,33)
InChIKeyAZQJZNPJYUGPQE-UHFFFAOYSA-N
XLogP4.00
TPSA112.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.55
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-(4,4-difluoropiperidin-1-yl)-2-morpholin-4-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-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-[5-(4,4-difluoropiperidin-1-yl)-2-morpholin-4-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-(4,4-difluoropiperidin-1-yl)-2-morpholin-4-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 126511299) is N-[5-(4,4-difluoropiperidin-1-yl)-2-morpholin-4-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-(4,4-difluoropiperidin-1-yl)-2-morpholin-4-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-(4,4-difluoropiperidin-1-yl)-2-morpholin-4-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1cc2oc(N3CCOCC3)nc2cc1N1CCC(F)(F)CC1)c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of N-[5-(4,4-difluoropiperidin-1-yl)-2-morpholin-4-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is AZQJZNPJYUGPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7O3S/c24-23(25)1-3-31(4-2-23)18-9-16-19(35-22(30-16)32-5-7-34-8-6-32)10-15(18)28-20(33)17-13-36-21(29-17)14-11-26-27-12-14/h9-13H,1-8H2,(H,26,27)(H,28,33).
What are the key properties of N-[5-(4,4-difluoropiperidin-1-yl)-2-morpholin-4-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[5-(4,4-difluoropiperidin-1-yl)-2-morpholin-4-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 515.55 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4,4-difluoropiperidin-1-yl)-2-morpholin-4-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126511299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).