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

C24H21FN4O4 — CID 10366390

IUPACN-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCOc1ccc(-c2ccc(F)cc2)c2oc(NC(=O)c3ccnc(N4CCOCC4)c3)nc12
InChIInChI=1S/C24H21FN4O4/c1-31-19-7-6-18(15-2-4-17(25)5-3-15)22-21(19)27-24(33-22)28-23(30)16-8-9-26-20(14-16)29-10-12-32-13-11-29/h2-9,14H,10-13H2,1H3,(H,27,28,30)
InChIKeyQSNDTZGIKQMXQL-UHFFFAOYSA-N
MW448.45 g/mol
LogP4.13
Rot. Bonds5

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

N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 10366390) has the molecular formula C24H21FN4O4 and a molecular weight of 448.45 g/mol. Its IUPAC name is N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
PubChem CID10366390
Molecular FormulaC24H21FN4O4
Molecular Weight448.45 g/mol
Exact Mass448.15
IUPAC NameN-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCOc1ccc(-c2ccc(F)cc2)c2oc(NC(=O)c3ccnc(N4CCOCC4)c3)nc12
InChIInChI=1S/C24H21FN4O4/c1-31-19-7-6-18(15-2-4-17(25)5-3-15)22-21(19)27-24(33-22)28-23(30)16-8-9-26-20(14-16)29-10-12-32-13-11-29/h2-9,14H,10-13H2,1H3,(H,27,28,30)
InChIKeyQSNDTZGIKQMXQL-UHFFFAOYSA-N
XLogP4.13
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide (CID 10366390) is N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide is COc1ccc(-c2ccc(F)cc2)c2oc(NC(=O)c3ccnc(N4CCOCC4)c3)nc12.
What is the InChIKey of N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is QSNDTZGIKQMXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4/c1-31-19-7-6-18(15-2-4-17(25)5-3-15)22-21(19)27-24(33-22)28-23(30)16-8-9-26-20(14-16)29-10-12-32-13-11-29/h2-9,14H,10-13H2,1H3,(H,27,28,30).
What are the key properties of N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 448.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 10366390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).