N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]-1,3-oxazole-4-carboxamide

C21H18FN5O3 — CID 70782325

IUPACN-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nn(-c2ccc(F)cc2)c2cccc(N3CCOCC3)c12)c1cocn1
InChIInChI=1S/C21H18FN5O3/c22-14-4-6-15(7-5-14)27-18-3-1-2-17(26-8-10-29-11-9-26)19(18)20(25-27)24-21(28)16-12-30-13-23-16/h1-7,12-13H,8-11H2,(H,24,25,28)
InChIKeyLYKINMHATVTUOT-UHFFFAOYSA-N
MW407.41 g/mol
LogP3.24
Rot. Bonds4

About N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]-1,3-oxazole-4-carboxamide

N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 70782325) has the molecular formula C21H18FN5O3 and a molecular weight of 407.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID70782325
Molecular FormulaC21H18FN5O3
Molecular Weight407.41 g/mol
Exact Mass407.14
IUPAC NameN-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nn(-c2ccc(F)cc2)c2cccc(N3CCOCC3)c12)c1cocn1
InChIInChI=1S/C21H18FN5O3/c22-14-4-6-15(7-5-14)27-18-3-1-2-17(26-8-10-29-11-9-26)19(18)20(25-27)24-21(28)16-12-30-13-23-16/h1-7,12-13H,8-11H2,(H,24,25,28)
InChIKeyLYKINMHATVTUOT-UHFFFAOYSA-N
XLogP3.24
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]-1,3-oxazole-4-carboxamide (CID 70782325) is N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]-1,3-oxazole-4-carboxamide is O=C(Nc1nn(-c2ccc(F)cc2)c2cccc(N3CCOCC3)c12)c1cocn1.
What is the InChIKey of N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is LYKINMHATVTUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3/c22-14-4-6-15(7-5-14)27-18-3-1-2-17(26-8-10-29-11-9-26)19(18)20(25-27)24-21(28)16-12-30-13-23-16/h1-7,12-13H,8-11H2,(H,24,25,28).
What are the key properties of N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]-1,3-oxazole-4-carboxamide?
N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 407.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70782325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).