(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone

C19H25N5O2 — CID 3234330

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1
InChIInChI=1S/C19H25N5O2/c1-14-16(15(2)26-22-14)17(25)23-11-6-19(7-12-23)5-3-10-24(13-19)18-20-8-4-9-21-18/h4,8-9H,3,5-7,10-13H2,1-2H3
InChIKeyGWBBDQAFPPWWFJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.60
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 3234330) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID3234330
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1
InChIInChI=1S/C19H25N5O2/c1-14-16(15(2)26-22-14)17(25)23-11-6-19(7-12-23)5-3-10-24(13-19)18-20-8-4-9-21-18/h4,8-9H,3,5-7,10-13H2,1-2H3
InChIKeyGWBBDQAFPPWWFJ-UHFFFAOYSA-N
XLogP2.60
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 3234330) is (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone is Cc1noc(C)c1C(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is GWBBDQAFPPWWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-16(15(2)26-22-14)17(25)23-11-6-19(7-12-23)5-3-10-24(13-19)18-20-8-4-9-21-18/h4,8-9H,3,5-7,10-13H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 355.44 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 3234330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).