[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-[(3-methylimidazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol

C21H33N5O2 — CID 74233299

IUPAC[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-[(3-methylimidazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol
SMILESCc1noc(C)c1CN1CCC2(CCN(Cc3cncn3C)CC2)C(CO)C1
InChIInChI=1S/C21H33N5O2/c1-16-20(17(2)28-23-16)13-26-9-6-21(18(11-26)14-27)4-7-25(8-5-21)12-19-10-22-15-24(19)3/h10,15,18,27H,4-9,11-14H2,1-3H3
InChIKeyFQRHPWAOHRJTHP-UHFFFAOYSA-N
MW387.53 g/mol
LogP2.12
Rot. Bonds5

About [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-[(3-methylimidazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol

[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-[(3-methylimidazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol (PubChem CID 74233299) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-[(3-methylimidazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol.

Molecular Properties

Compound Name[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-[(3-methylimidazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol
PubChem CID74233299
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-[(3-methylimidazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol
SMILESCc1noc(C)c1CN1CCC2(CCN(Cc3cncn3C)CC2)C(CO)C1
InChIInChI=1S/C21H33N5O2/c1-16-20(17(2)28-23-16)13-26-9-6-21(18(11-26)14-27)4-7-25(8-5-21)12-19-10-22-15-24(19)3/h10,15,18,27H,4-9,11-14H2,1-3H3
InChIKeyFQRHPWAOHRJTHP-UHFFFAOYSA-N
XLogP2.12
TPSA70.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

[9-[(3-methylimidazol-4-yl)methyl]-3-(1,3-thiazol-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol
CID 74251018
2-ethylsulfanyl-1-[5-(hydroxymethyl)-9-[(3-methylimidazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
CID 74240353
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 56828639
N-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 131663959
1-[(3-methylimidazol-4-yl)methyl]azetidin-3-ol
CID 66141587
4-chloro-N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 118778411
(3R,4R)-4-(cyclopentylamino)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-ol
CID 118781597
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpiperidin-4-ol
CID 114511165
N-[(3S,4S)-4-hydroxy-4-methyl-9-[(3-methylimidazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 169418022
1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
CID 134078054
3,3-dimethyl-9-[(3-methylimidazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecane
CID 155996912
4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 86773638

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-[(3-methylimidazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol?
The IUPAC name of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-[(3-methylimidazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol (CID 74233299) is [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-[(3-methylimidazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol.
What is the SMILES notation for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-[(3-methylimidazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol?
The canonical SMILES for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-[(3-methylimidazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol is Cc1noc(C)c1CN1CCC2(CCN(Cc3cncn3C)CC2)C(CO)C1.
What is the InChIKey of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-[(3-methylimidazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol?
The InChIKey is FQRHPWAOHRJTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-16-20(17(2)28-23-16)13-26-9-6-21(18(11-26)14-27)4-7-25(8-5-21)12-19-10-22-15-24(19)3/h10,15,18,27H,4-9,11-14H2,1-3H3.
What are the key properties of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-[(3-methylimidazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol?
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-[(3-methylimidazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol has a molecular weight of 387.53 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-[(3-methylimidazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol is sourced from PubChem (CID 74233299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).