N-[1-[4-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide

C26H25N5O4 — CID 42437402

IUPACN-[1-[4-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2)on1)c1ccc(-n2cc(NC(=O)C3CCOCC3)cn2)cc1
InChIInChI=1S/C26H25N5O4/c32-25(27-15-21-14-24(35-30-21)18-4-2-1-3-5-18)19-6-8-23(9-7-19)31-17-22(16-28-31)29-26(33)20-10-12-34-13-11-20/h1-9,14,16-17,20H,10-13,15H2,(H,27,32)(H,29,33)
InChIKeyJIUUZSWFOIBZNW-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.82
Rot. Bonds7

About N-[1-[4-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide

N-[1-[4-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide (PubChem CID 42437402) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is N-[1-[4-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide
PubChem CID42437402
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC NameN-[1-[4-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2)on1)c1ccc(-n2cc(NC(=O)C3CCOCC3)cn2)cc1
InChIInChI=1S/C26H25N5O4/c32-25(27-15-21-14-24(35-30-21)18-4-2-1-3-5-18)19-6-8-23(9-7-19)31-17-22(16-28-31)29-26(33)20-10-12-34-13-11-20/h1-9,14,16-17,20H,10-13,15H2,(H,27,32)(H,29,33)
InChIKeyJIUUZSWFOIBZNW-UHFFFAOYSA-N
XLogP3.82
TPSA111.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide?
The IUPAC name of N-[1-[4-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide (CID 42437402) is N-[1-[4-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[1-[4-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide?
The canonical SMILES for N-[1-[4-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide is O=C(NCc1cc(-c2ccccc2)on1)c1ccc(-n2cc(NC(=O)C3CCOCC3)cn2)cc1.
What is the InChIKey of N-[1-[4-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide?
The InChIKey is JIUUZSWFOIBZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c32-25(27-15-21-14-24(35-30-21)18-4-2-1-3-5-18)19-6-8-23(9-7-19)31-17-22(16-28-31)29-26(33)20-10-12-34-13-11-20/h1-9,14,16-17,20H,10-13,15H2,(H,27,32)(H,29,33).
What are the key properties of N-[1-[4-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide?
N-[1-[4-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide is sourced from PubChem (CID 42437402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).