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

C20H20N6O2 — CID 91933922

IUPAC4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one
SMILESCc1ccnc(Nc2cccc(-c3cnc(N4CCNC(=O)C45CC5)o3)c2)n1
InChIInChI=1S/C20H20N6O2/c1-13-5-8-22-18(24-13)25-15-4-2-3-14(11-15)16-12-23-19(28-16)26-10-9-21-17(27)20(26)6-7-20/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,21,27)(H,22,24,25)
InChIKeyCAECQSYTSKEWOC-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.65
Rot. Bonds4

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

4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one (PubChem CID 91933922) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one.

Molecular Properties

Compound Name4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one
PubChem CID91933922
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one
SMILESCc1ccnc(Nc2cccc(-c3cnc(N4CCNC(=O)C45CC5)o3)c2)n1
InChIInChI=1S/C20H20N6O2/c1-13-5-8-22-18(24-13)25-15-4-2-3-14(11-15)16-12-23-19(28-16)26-10-9-21-17(27)20(26)6-7-20/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,21,27)(H,22,24,25)
InChIKeyCAECQSYTSKEWOC-UHFFFAOYSA-N
XLogP2.65
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one?
The IUPAC name of 4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one (CID 91933922) is 4-[5-[3-[(4-methylpyrimidin-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-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one?
The canonical SMILES for 4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one is Cc1ccnc(Nc2cccc(-c3cnc(N4CCNC(=O)C45CC5)o3)c2)n1.
What is the InChIKey of 4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one?
The InChIKey is CAECQSYTSKEWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-13-5-8-22-18(24-13)25-15-4-2-3-14(11-15)16-12-23-19(28-16)26-10-9-21-17(27)20(26)6-7-20/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,21,27)(H,22,24,25).
What are the key properties of 4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one?
4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one has a molecular weight of 376.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one is sourced from PubChem (CID 91933922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).