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

C23H24FN7O3S — CID 126511283

IUPACN-[5-(3-fluoropiperidin-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)nc2cc1N1CCCC(F)C1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C23H24FN7O3S/c24-15-2-1-3-31(12-15)19-8-17-20(34-23(29-17)30-4-6-33-7-5-30)9-16(19)27-21(32)18-13-35-22(28-18)14-10-25-26-11-14/h8-11,13,15H,1-7,12H2,(H,25,26)(H,27,32)
InChIKeyLSGXPQPZZKBFPU-UHFFFAOYSA-N
MW497.56 g/mol
LogP3.70
Rot. Bonds5

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

N-[5-(3-fluoropiperidin-1-yl)-2-morpholin-4-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 126511283) has the molecular formula C23H24FN7O3S and a molecular weight of 497.56 g/mol. Its IUPAC name is N-[5-(3-fluoropiperidin-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-(3-fluoropiperidin-1-yl)-2-morpholin-4-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID126511283
Molecular FormulaC23H24FN7O3S
Molecular Weight497.56 g/mol
Exact Mass497.16
IUPAC NameN-[5-(3-fluoropiperidin-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)nc2cc1N1CCCC(F)C1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C23H24FN7O3S/c24-15-2-1-3-31(12-15)19-8-17-20(34-23(29-17)30-4-6-33-7-5-30)9-16(19)27-21(32)18-13-35-22(28-18)14-10-25-26-11-14/h8-11,13,15H,1-7,12H2,(H,25,26)(H,27,32)
InChIKeyLSGXPQPZZKBFPU-UHFFFAOYSA-N
XLogP3.70
TPSA112.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluoropiperidin-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-(3-fluoropiperidin-1-yl)-2-morpholin-4-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 126511283) is N-[5-(3-fluoropiperidin-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-(3-fluoropiperidin-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-(3-fluoropiperidin-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)nc2cc1N1CCCC(F)C1)c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of N-[5-(3-fluoropiperidin-1-yl)-2-morpholin-4-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is LSGXPQPZZKBFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O3S/c24-15-2-1-3-31(12-15)19-8-17-20(34-23(29-17)30-4-6-33-7-5-30)9-16(19)27-21(32)18-13-35-22(28-18)14-10-25-26-11-14/h8-11,13,15H,1-7,12H2,(H,25,26)(H,27,32).
What are the key properties of N-[5-(3-fluoropiperidin-1-yl)-2-morpholin-4-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[5-(3-fluoropiperidin-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 497.56 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluoropiperidin-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 126511283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).