4-[5-[2-(2-morpholin-4-ylethoxy)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one

C26H28F3N7O4 — CID 118395102

IUPAC4-[5-[2-(2-morpholin-4-ylethoxy)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one
SMILESO=C1NCCN(c2ncc(-c3cc(Nc4nccc(C(F)(F)F)n4)ccc3OCCN3CCOCC3)o2)C12CC2
InChIInChI=1S/C26H28F3N7O4/c27-26(28,29)21-3-6-31-23(34-21)33-17-1-2-19(39-14-11-35-9-12-38-13-10-35)18(15-17)20-16-32-24(40-20)36-8-7-30-22(37)25(36)4-5-25/h1-3,6,15-16H,4-5,7-14H2,(H,30,37)(H,31,33,34)
InChIKeyNQFCQBOVSCMPRR-UHFFFAOYSA-N
MW559.55 g/mol
LogP3.07
Rot. Bonds8

About 4-[5-[2-(2-morpholin-4-ylethoxy)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one

4-[5-[2-(2-morpholin-4-ylethoxy)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one (PubChem CID 118395102) has the molecular formula C26H28F3N7O4 and a molecular weight of 559.55 g/mol. Its IUPAC name is 4-[5-[2-(2-morpholin-4-ylethoxy)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one.

Molecular Properties

Compound Name4-[5-[2-(2-morpholin-4-ylethoxy)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one
PubChem CID118395102
Molecular FormulaC26H28F3N7O4
Molecular Weight559.55 g/mol
Exact Mass559.22
IUPAC Name4-[5-[2-(2-morpholin-4-ylethoxy)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one
SMILESO=C1NCCN(c2ncc(-c3cc(Nc4nccc(C(F)(F)F)n4)ccc3OCCN3CCOCC3)o2)C12CC2
InChIInChI=1S/C26H28F3N7O4/c27-26(28,29)21-3-6-31-23(34-21)33-17-1-2-19(39-14-11-35-9-12-38-13-10-35)18(15-17)20-16-32-24(40-20)36-8-7-30-22(37)25(36)4-5-25/h1-3,6,15-16H,4-5,7-14H2,(H,30,37)(H,31,33,34)
InChIKeyNQFCQBOVSCMPRR-UHFFFAOYSA-N
XLogP3.07
TPSA117.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.55
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[5-[2-(2-morpholin-4-ylethoxy)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(2-morpholin-4-ylethoxy)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one?
The IUPAC name of 4-[5-[2-(2-morpholin-4-ylethoxy)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one (CID 118395102) is 4-[5-[2-(2-morpholin-4-ylethoxy)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one.
What is the SMILES notation for 4-[5-[2-(2-morpholin-4-ylethoxy)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one?
The canonical SMILES for 4-[5-[2-(2-morpholin-4-ylethoxy)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one is O=C1NCCN(c2ncc(-c3cc(Nc4nccc(C(F)(F)F)n4)ccc3OCCN3CCOCC3)o2)C12CC2.
What is the InChIKey of 4-[5-[2-(2-morpholin-4-ylethoxy)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one?
The InChIKey is NQFCQBOVSCMPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N7O4/c27-26(28,29)21-3-6-31-23(34-21)33-17-1-2-19(39-14-11-35-9-12-38-13-10-35)18(15-17)20-16-32-24(40-20)36-8-7-30-22(37)25(36)4-5-25/h1-3,6,15-16H,4-5,7-14H2,(H,30,37)(H,31,33,34).
What are the key properties of 4-[5-[2-(2-morpholin-4-ylethoxy)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one?
4-[5-[2-(2-morpholin-4-ylethoxy)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one has a molecular weight of 559.55 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(2-morpholin-4-ylethoxy)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one is sourced from PubChem (CID 118395102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).