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

C20H26N4O2 — CID 3234320

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CC1)CCN(c1ccccn1)CC2
InChIInChI=1S/C20H26N4O2/c1-15-18(16(2)26-22-15)19(25)24-13-8-20(9-14-24)6-11-23(12-7-20)17-5-3-4-10-21-17/h3-5,10H,6-9,11-14H2,1-2H3
InChIKeyGEBOUNZPUGBPES-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.21
Rot. Bonds2

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

(3,5-dimethyl-1,2-oxazol-4-yl)-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone (PubChem CID 3234320) 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)-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
PubChem CID3234320
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CC1)CCN(c1ccccn1)CC2
InChIInChI=1S/C20H26N4O2/c1-15-18(16(2)26-22-15)19(25)24-13-8-20(9-14-24)6-11-23(12-7-20)17-5-3-4-10-21-17/h3-5,10H,6-9,11-14H2,1-2H3
InChIKeyGEBOUNZPUGBPES-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

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Related Compounds

3,5-dimethyl-N-2-pyridinyl-4-isoxazolecarboxamide
CID 1244041
(5-Methyl-1,2-oxazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 1245842
(5-Methyl-3-phenylisoxazol-4-yl){4-[3-(trifluoromethyl)pyridin-2-yl]piperazino}methanone
CID 2741611
(3,5-Dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3233137
1-(3-{1-[(5-Ethylisoxazol-3-yl)carbonyl]piperidin-3-yl}propanoyl)-4-pyridin-2-ylpiperazine
CID 16192136
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1094867
(5-Methyl-3-phenyl-4-isoxazolyl)[4-(5-propyl-2-pyrimidinyl)piperazino]methanone
CID 2812701
(5-Methyl-3-phenyl-4-isoxazolyl)[4-(2-pyridinyl)piperazino]methanone
CID 2813463
5-methyl-N-(5-methyl-2-pyridinyl)-3-phenyl-4-isoxazolecarboxamide
CID 868950
(3,5-Dimethyl-1,2-oxazol-4-yl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3234330
N-(2,6-dimorpholin-4-yl-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2741378
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3234322

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone (CID 3234320) is (3,5-dimethyl-1,2-oxazol-4-yl)-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone is Cc1noc(C)c1C(=O)N1CCC2(CC1)CCN(c1ccccn1)CC2.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The InChIKey is GEBOUNZPUGBPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-18(16(2)26-22-15)19(25)24-13-8-20(9-14-24)6-11-23(12-7-20)17-5-3-4-10-21-17/h3-5,10H,6-9,11-14H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-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)-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone is sourced from PubChem (CID 3234320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).