4-[[2-(cyclopentylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-3,5-dimethyl-1,2-oxazole

C20H33N3O — CID 118742466

IUPAC4-[[2-(cyclopentylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCCC2(CCN(CC3CCCC3)C2)C1
InChIInChI=1S/C20H33N3O/c1-16-19(17(2)24-21-16)13-22-10-5-8-20(14-22)9-11-23(15-20)12-18-6-3-4-7-18/h18H,3-15H2,1-2H3
InChIKeyNCPUFAQCGDFCJV-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.77
Rot. Bonds4

About 4-[[2-(cyclopentylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[2-(cyclopentylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 118742466) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 4-[[2-(cyclopentylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[2-(cyclopentylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID118742466
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name4-[[2-(cyclopentylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCCC2(CCN(CC3CCCC3)C2)C1
InChIInChI=1S/C20H33N3O/c1-16-19(17(2)24-21-16)13-22-10-5-8-20(14-22)9-11-23(15-20)12-18-6-3-4-7-18/h18H,3-15H2,1-2H3
InChIKeyNCPUFAQCGDFCJV-UHFFFAOYSA-N
XLogP3.77
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(cyclopentylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-3,5-dimethyl-1,2-oxazole 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
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3233198
7-(2,2-Dimethylpropyl)-2-[(3-ethyl-5-methyl-4-isoxazolyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45218508
tert-butyl N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 53532510
4-[[(3aS,6aR)-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97377666
Cyclopropyl-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 118738838
2-Cyclopropyl-1-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 118739672
3,5-Dimethyl-4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole
CID 2241068
Cyclopentyl{4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazinyl}methanone
CID 49718445
1-((3,5-Dimethylisoxazol-4-yl)methyl)piperidin-3-amine
CID 56828949
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-4-amine
CID 43215966
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide
CID 46630798

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopentylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[2-(cyclopentylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 118742466) is 4-[[2-(cyclopentylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[2-(cyclopentylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[2-(cyclopentylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CN1CCCC2(CCN(CC3CCCC3)C2)C1.
What is the InChIKey of 4-[[2-(cyclopentylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is NCPUFAQCGDFCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-16-19(17(2)24-21-16)13-22-10-5-8-20(14-22)9-11-23(15-20)12-18-6-3-4-7-18/h18H,3-15H2,1-2H3.
What are the key properties of 4-[[2-(cyclopentylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[2-(cyclopentylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 331.50 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopentylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 118742466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).