cyclopropyl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10,10-difluoro-2,7-diazaspiro[4.5]decan-7-yl]methanone

C18H25F2N3O2 — CID 155876069

IUPACcyclopropyl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10,10-difluoro-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCc1noc(C)c1CN1CCC2(C1)CN(C(=O)C1CC1)CCC2(F)F
InChIInChI=1S/C18H25F2N3O2/c1-12-15(13(2)25-21-12)9-22-7-5-17(10-22)11-23(8-6-18(17,19)20)16(24)14-3-4-14/h14H,3-11H2,1-2H3
InChIKeyNERFKOXEYPJJOG-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.76
Rot. Bonds3

About cyclopropyl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10,10-difluoro-2,7-diazaspiro[4.5]decan-7-yl]methanone

cyclopropyl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10,10-difluoro-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 155876069) has the molecular formula C18H25F2N3O2 and a molecular weight of 353.41 g/mol. Its IUPAC name is cyclopropyl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10,10-difluoro-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10,10-difluoro-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID155876069
Molecular FormulaC18H25F2N3O2
Molecular Weight353.41 g/mol
Exact Mass353.19
IUPAC Namecyclopropyl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10,10-difluoro-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCc1noc(C)c1CN1CCC2(C1)CN(C(=O)C1CC1)CCC2(F)F
InChIInChI=1S/C18H25F2N3O2/c1-12-15(13(2)25-21-12)9-22-7-5-17(10-22)11-23(8-6-18(17,19)20)16(24)14-3-4-14/h14H,3-11H2,1-2H3
InChIKeyNERFKOXEYPJJOG-UHFFFAOYSA-N
XLogP2.76
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10,10-difluoro-2,7-diazaspiro[4.5]decan-7-yl]methanone with MolForge

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Related Compounds

N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-fluoropyrrolidine-3-carboxamide
CID 171334012
cyclopropyl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 156610719
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 146064499
cyclopropyl-[(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 95354750
N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 118744023
[(3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-morpholin-4-ylmethanone
CID 97362733
[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1-fluorocyclopropyl)methanone
CID 131688809
1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 94124960
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
1-(cyclopropanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide
CID 72871515
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;dihydrochloride
CID 120644122
N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118744022

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10,10-difluoro-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of cyclopropyl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10,10-difluoro-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 155876069) is cyclopropyl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10,10-difluoro-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10,10-difluoro-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for cyclopropyl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10,10-difluoro-2,7-diazaspiro[4.5]decan-7-yl]methanone is Cc1noc(C)c1CN1CCC2(C1)CN(C(=O)C1CC1)CCC2(F)F.
What is the InChIKey of cyclopropyl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10,10-difluoro-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is NERFKOXEYPJJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O2/c1-12-15(13(2)25-21-12)9-22-7-5-17(10-22)11-23(8-6-18(17,19)20)16(24)14-3-4-14/h14H,3-11H2,1-2H3.
What are the key properties of cyclopropyl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10,10-difluoro-2,7-diazaspiro[4.5]decan-7-yl]methanone?
cyclopropyl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10,10-difluoro-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 353.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10,10-difluoro-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 155876069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).