2-cyclopropyl-1-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone

C19H29N3O2 — CID 118739672

IUPAC2-cyclopropyl-1-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCc1noc(C)c1CN1CCCC2(CCN(C(=O)CC3CC3)C2)C1
InChIInChI=1S/C19H29N3O2/c1-14-17(15(2)24-20-14)11-21-8-3-6-19(12-21)7-9-22(13-19)18(23)10-16-4-5-16/h16H,3-13H2,1-2H3
InChIKeyMOMZTCMMMHOYJH-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.91
Rot. Bonds4

About 2-cyclopropyl-1-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone

2-cyclopropyl-1-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 118739672) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-cyclopropyl-1-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID118739672
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-cyclopropyl-1-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCc1noc(C)c1CN1CCCC2(CCN(C(=O)CC3CC3)C2)C1
InChIInChI=1S/C19H29N3O2/c1-14-17(15(2)24-20-14)11-21-8-3-6-19(12-21)7-9-22(13-19)18(23)10-16-4-5-16/h16H,3-13H2,1-2H3
InChIKeyMOMZTCMMMHOYJH-UHFFFAOYSA-N
XLogP2.91
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-1-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone with MolForge

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Related Compounds

(3,5-Dimethyl-1,2-oxazol-4-yl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 3234303
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46942636
(3-Ethyl-5-methylisoxazol-4-yl)(pyrrolidin-1-yl)methanone
CID 1245980
(3,5-Dimethyl-4-isoxazolyl)(1-pyrrolidinyl)methanone
CID 2798231
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3233198
(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3233416
7-(2,2-Dimethylpropyl)-2-[(3-ethyl-5-methyl-4-isoxazolyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45218508
3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 47010153
3-methyl-5-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 53515935
tert-butyl N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 53532510
1-[1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-3-ethylimidazolidin-2-one
CID 53598235
3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 71940638

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone (CID 118739672) is 2-cyclopropyl-1-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone is Cc1noc(C)c1CN1CCCC2(CCN(C(=O)CC3CC3)C2)C1.
What is the InChIKey of 2-cyclopropyl-1-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is MOMZTCMMMHOYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-17(15(2)24-20-14)11-21-8-3-6-19(12-21)7-9-22(13-19)18(23)10-16-4-5-16/h16H,3-13H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
2-cyclopropyl-1-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 331.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 118739672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).