morpholin-4-yl-[6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]-3-pyridinyl]methanone

C23H18F3N5O3 — CID 25132482

IUPACmorpholin-4-yl-[6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]-3-pyridinyl]methanone
SMILESO=C(c1ccc(-n2cnc(-c3c(-c4ccccc4)noc3C(F)(F)F)c2)nc1)N1CCOCC1
InChIInChI=1S/C23H18F3N5O3/c24-23(25,26)21-19(20(29-34-21)15-4-2-1-3-5-15)17-13-31(14-28-17)18-7-6-16(12-27-18)22(32)30-8-10-33-11-9-30/h1-7,12-14H,8-11H2
InChIKeyGXKXGOHKYVNQEL-UHFFFAOYSA-N
MW469.42 g/mol
LogP4.08
Rot. Bonds4

About morpholin-4-yl-[6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]-3-pyridinyl]methanone

morpholin-4-yl-[6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]-3-pyridinyl]methanone (PubChem CID 25132482) has the molecular formula C23H18F3N5O3 and a molecular weight of 469.42 g/mol. Its IUPAC name is morpholin-4-yl-[6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]-3-pyridinyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]-3-pyridinyl]methanone
PubChem CID25132482
Molecular FormulaC23H18F3N5O3
Molecular Weight469.42 g/mol
Exact Mass469.14
IUPAC Namemorpholin-4-yl-[6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]-3-pyridinyl]methanone
SMILESO=C(c1ccc(-n2cnc(-c3c(-c4ccccc4)noc3C(F)(F)F)c2)nc1)N1CCOCC1
InChIInChI=1S/C23H18F3N5O3/c24-23(25,26)21-19(20(29-34-21)15-4-2-1-3-5-15)17-13-31(14-28-17)18-7-6-16(12-27-18)22(32)30-8-10-33-11-9-30/h1-7,12-14H,8-11H2
InChIKeyGXKXGOHKYVNQEL-UHFFFAOYSA-N
XLogP4.08
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]-3-pyridinyl]methanone?
The IUPAC name of morpholin-4-yl-[6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]-3-pyridinyl]methanone (CID 25132482) is morpholin-4-yl-[6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]-3-pyridinyl]methanone.
What is the SMILES notation for morpholin-4-yl-[6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]-3-pyridinyl]methanone?
The canonical SMILES for morpholin-4-yl-[6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]-3-pyridinyl]methanone is O=C(c1ccc(-n2cnc(-c3c(-c4ccccc4)noc3C(F)(F)F)c2)nc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]-3-pyridinyl]methanone?
The InChIKey is GXKXGOHKYVNQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O3/c24-23(25,26)21-19(20(29-34-21)15-4-2-1-3-5-15)17-13-31(14-28-17)18-7-6-16(12-27-18)22(32)30-8-10-33-11-9-30/h1-7,12-14H,8-11H2.
What are the key properties of morpholin-4-yl-[6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]-3-pyridinyl]methanone?
morpholin-4-yl-[6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]-3-pyridinyl]methanone has a molecular weight of 469.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[6-[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]imidazol-1-yl]-3-pyridinyl]methanone is sourced from PubChem (CID 25132482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).