N-[4-methoxy-7-(oxan-4-yl)-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide

C23H26N4O5 — CID 22252243

IUPACN-[4-methoxy-7-(oxan-4-yl)-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCOc1ccc(C2CCOCC2)c2oc(NC(=O)c3ccnc(N4CCOCC4)c3)nc12
InChIInChI=1S/C23H26N4O5/c1-29-18-3-2-17(15-5-10-30-11-6-15)21-20(18)25-23(32-21)26-22(28)16-4-7-24-19(14-16)27-8-12-31-13-9-27/h2-4,7,14-15H,5-6,8-13H2,1H3,(H,25,26,28)
InChIKeyFFSZJFKBYPFJNE-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.21
Rot. Bonds5

About N-[4-methoxy-7-(oxan-4-yl)-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide

N-[4-methoxy-7-(oxan-4-yl)-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 22252243) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[4-methoxy-7-(oxan-4-yl)-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-7-(oxan-4-yl)-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
PubChem CID22252243
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN-[4-methoxy-7-(oxan-4-yl)-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCOc1ccc(C2CCOCC2)c2oc(NC(=O)c3ccnc(N4CCOCC4)c3)nc12
InChIInChI=1S/C23H26N4O5/c1-29-18-3-2-17(15-5-10-30-11-6-15)21-20(18)25-23(32-21)26-22(28)16-4-7-24-19(14-16)27-8-12-31-13-9-27/h2-4,7,14-15H,5-6,8-13H2,1H3,(H,25,26,28)
InChIKeyFFSZJFKBYPFJNE-UHFFFAOYSA-N
XLogP3.21
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-7-(oxan-4-yl)-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-[4-methoxy-7-(oxan-4-yl)-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide (CID 22252243) is N-[4-methoxy-7-(oxan-4-yl)-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-methoxy-7-(oxan-4-yl)-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-[4-methoxy-7-(oxan-4-yl)-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide is COc1ccc(C2CCOCC2)c2oc(NC(=O)c3ccnc(N4CCOCC4)c3)nc12.
What is the InChIKey of N-[4-methoxy-7-(oxan-4-yl)-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is FFSZJFKBYPFJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-29-18-3-2-17(15-5-10-30-11-6-15)21-20(18)25-23(32-21)26-22(28)16-4-7-24-19(14-16)27-8-12-31-13-9-27/h2-4,7,14-15H,5-6,8-13H2,1H3,(H,25,26,28).
What are the key properties of N-[4-methoxy-7-(oxan-4-yl)-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
N-[4-methoxy-7-(oxan-4-yl)-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-7-(oxan-4-yl)-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 22252243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).