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

C20H26N4O2 — CID 3233137

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CCCN(c3ccccn3)C2)CC1
InChIInChI=1S/C20H26N4O2/c1-15-18(16(2)26-22-15)19(25)23-12-8-20(9-13-23)7-5-11-24(14-20)17-6-3-4-10-21-17/h3-4,6,10H,5,7-9,11-14H2,1-2H3
InChIKeyMRXDPAUIZIGPLW-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.21
Rot. Bonds2

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

(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 3233137) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID3233137
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CCCN(c3ccccn3)C2)CC1
InChIInChI=1S/C20H26N4O2/c1-15-18(16(2)26-22-15)19(25)23-12-8-20(9-13-23)7-5-11-24(14-20)17-6-3-4-10-21-17/h3-4,6,10H,5,7-9,11-14H2,1-2H3
InChIKeyMRXDPAUIZIGPLW-UHFFFAOYSA-N
XLogP3.21
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 3234594
(4-methoxyphenyl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3235378
(5R)-N,N-dimethyl-9-pyridin-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97483862
[(5S)-9-pyridin-2-yl-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97483871
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 3233335
phenyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3233977
1-(2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone
CID 134074831
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 124968569
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3233338
(3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1247460
3,5-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 124573326
8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72921446

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 3233137) is (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-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-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone is Cc1noc(C)c1C(=O)N1CCC2(CCCN(c3ccccn3)C2)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is MRXDPAUIZIGPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-18(16(2)26-22-15)19(25)23-12-8-20(9-13-23)7-5-11-24(14-20)17-6-3-4-10-21-17/h3-4,6,10H,5,7-9,11-14H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 3233137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).