N-(2,5-dimorpholin-4-yl-1,3-benzoxazol-6-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide

C23H24N6O5 — CID 126511290

IUPACN-(2,5-dimorpholin-4-yl-1,3-benzoxazol-6-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
SMILESO=C(Nc1cc2oc(N3CCOCC3)nc2cc1N1CCOCC1)c1ccc(-c2cn[nH]c2)o1
InChIInChI=1S/C23H24N6O5/c30-22(20-2-1-19(33-20)15-13-24-25-14-15)26-16-12-21-17(11-18(16)28-3-7-31-8-4-28)27-23(34-21)29-5-9-32-10-6-29/h1-2,11-14H,3-10H2,(H,24,25)(H,26,30)
InChIKeyAJKLVXLUXKAAMS-UHFFFAOYSA-N
MW464.48 g/mol
LogP2.74
Rot. Bonds5

About N-(2,5-dimorpholin-4-yl-1,3-benzoxazol-6-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide

N-(2,5-dimorpholin-4-yl-1,3-benzoxazol-6-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide (PubChem CID 126511290) has the molecular formula C23H24N6O5 and a molecular weight of 464.48 g/mol. Its IUPAC name is N-(2,5-dimorpholin-4-yl-1,3-benzoxazol-6-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimorpholin-4-yl-1,3-benzoxazol-6-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
PubChem CID126511290
Molecular FormulaC23H24N6O5
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC NameN-(2,5-dimorpholin-4-yl-1,3-benzoxazol-6-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
SMILESO=C(Nc1cc2oc(N3CCOCC3)nc2cc1N1CCOCC1)c1ccc(-c2cn[nH]c2)o1
InChIInChI=1S/C23H24N6O5/c30-22(20-2-1-19(33-20)15-13-24-25-14-15)26-16-12-21-17(11-18(16)28-3-7-31-8-4-28)27-23(34-21)29-5-9-32-10-6-29/h1-2,11-14H,3-10H2,(H,24,25)(H,26,30)
InChIKeyAJKLVXLUXKAAMS-UHFFFAOYSA-N
XLogP2.74
TPSA121.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimorpholin-4-yl-1,3-benzoxazol-6-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The IUPAC name of N-(2,5-dimorpholin-4-yl-1,3-benzoxazol-6-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide (CID 126511290) is N-(2,5-dimorpholin-4-yl-1,3-benzoxazol-6-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2,5-dimorpholin-4-yl-1,3-benzoxazol-6-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The canonical SMILES for N-(2,5-dimorpholin-4-yl-1,3-benzoxazol-6-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide is O=C(Nc1cc2oc(N3CCOCC3)nc2cc1N1CCOCC1)c1ccc(-c2cn[nH]c2)o1.
What is the InChIKey of N-(2,5-dimorpholin-4-yl-1,3-benzoxazol-6-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The InChIKey is AJKLVXLUXKAAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O5/c30-22(20-2-1-19(33-20)15-13-24-25-14-15)26-16-12-21-17(11-18(16)28-3-7-31-8-4-28)27-23(34-21)29-5-9-32-10-6-29/h1-2,11-14H,3-10H2,(H,24,25)(H,26,30).
What are the key properties of N-(2,5-dimorpholin-4-yl-1,3-benzoxazol-6-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
N-(2,5-dimorpholin-4-yl-1,3-benzoxazol-6-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide has a molecular weight of 464.48 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimorpholin-4-yl-1,3-benzoxazol-6-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 126511290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).