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

C21H27N3O2 — CID 3234109

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CCCN(c3ccccc3)C2)CC1
InChIInChI=1S/C21H27N3O2/c1-16-19(17(2)26-22-16)20(25)23-13-10-21(11-14-23)9-6-12-24(15-21)18-7-4-3-5-8-18/h3-5,7-8H,6,9-15H2,1-2H3
InChIKeyHHXYDJKCWCRQHH-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.81
Rot. Bonds2

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

(3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 3234109) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID3234109
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CCCN(c3ccccc3)C2)CC1
InChIInChI=1S/C21H27N3O2/c1-16-19(17(2)26-22-16)20(25)23-13-10-21(11-14-23)9-6-12-24(15-21)18-7-4-3-5-8-18/h3-5,7-8H,6,9-15H2,1-2H3
InChIKeyHHXYDJKCWCRQHH-UHFFFAOYSA-N
XLogP3.81
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 3234109) is (3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone is Cc1noc(C)c1C(=O)N1CCC2(CCCN(c3ccccc3)C2)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is HHXYDJKCWCRQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-19(17(2)26-22-16)20(25)23-13-10-21(11-14-23)9-6-12-24(15-21)18-7-4-3-5-8-18/h3-5,7-8H,6,9-15H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 353.47 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 3234109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).