[4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone

C25H24FN5O4 — CID 154679439

IUPAC[4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone
SMILESCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CC(N6CCOCC6)C5)cc4)no3)c2cc1F
InChIInChI=1S/C25H24FN5O4/c1-33-22-12-21-18(10-19(22)26)24(28-27-21)23-11-20(29-35-23)15-2-4-16(5-3-15)25(32)31-13-17(14-31)30-6-8-34-9-7-30/h2-5,10-12,17H,6-9,13-14H2,1H3,(H,27,28)
InChIKeySSNNULYVWUORME-UHFFFAOYSA-N
MW477.50 g/mol
LogP3.19
Rot. Bonds5

About [4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone

[4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone (PubChem CID 154679439) has the molecular formula C25H24FN5O4 and a molecular weight of 477.50 g/mol. Its IUPAC name is [4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone
PubChem CID154679439
Molecular FormulaC25H24FN5O4
Molecular Weight477.50 g/mol
Exact Mass477.18
IUPAC Name[4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone
SMILESCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CC(N6CCOCC6)C5)cc4)no3)c2cc1F
InChIInChI=1S/C25H24FN5O4/c1-33-22-12-21-18(10-19(22)26)24(28-27-21)23-11-20(29-35-23)15-2-4-16(5-3-15)25(32)31-13-17(14-31)30-6-8-34-9-7-30/h2-5,10-12,17H,6-9,13-14H2,1H3,(H,27,28)
InChIKeySSNNULYVWUORME-UHFFFAOYSA-N
XLogP3.19
TPSA96.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone?
The IUPAC name of [4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone (CID 154679439) is [4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone.
What is the SMILES notation for [4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone?
The canonical SMILES for [4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone is COc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CC(N6CCOCC6)C5)cc4)no3)c2cc1F.
What is the InChIKey of [4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone?
The InChIKey is SSNNULYVWUORME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O4/c1-33-22-12-21-18(10-19(22)26)24(28-27-21)23-11-20(29-35-23)15-2-4-16(5-3-15)25(32)31-13-17(14-31)30-6-8-34-9-7-30/h2-5,10-12,17H,6-9,13-14H2,1H3,(H,27,28).
What are the key properties of [4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone?
[4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone has a molecular weight of 477.50 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone is sourced from PubChem (CID 154679439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).