[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1-fluorocyclopropyl)methanone

C18H26FN3O3 — CID 131688809

IUPAC[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1-fluorocyclopropyl)methanone
SMILESCc1noc(C)c1CN1CCCC2(C1)CN(C(=O)C1(F)CC1)CCO2
InChIInChI=1S/C18H26FN3O3/c1-13-15(14(2)25-20-13)10-21-7-3-4-17(11-21)12-22(8-9-24-17)16(23)18(19)5-6-18/h3-12H2,1-2H3
InChIKeyBQKMRPVFEUYKSE-UHFFFAOYSA-N
MW351.42 g/mol
LogP1.99
Rot. Bonds3

About [8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1-fluorocyclopropyl)methanone

[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1-fluorocyclopropyl)methanone (PubChem CID 131688809) has the molecular formula C18H26FN3O3 and a molecular weight of 351.42 g/mol. Its IUPAC name is [8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1-fluorocyclopropyl)methanone.

Molecular Properties

Compound Name[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1-fluorocyclopropyl)methanone
PubChem CID131688809
Molecular FormulaC18H26FN3O3
Molecular Weight351.42 g/mol
Exact Mass351.20
IUPAC Name[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1-fluorocyclopropyl)methanone
SMILESCc1noc(C)c1CN1CCCC2(C1)CN(C(=O)C1(F)CC1)CCO2
InChIInChI=1S/C18H26FN3O3/c1-13-15(14(2)25-20-13)10-21-7-3-4-17(11-21)12-22(8-9-24-17)16(23)18(19)5-6-18/h3-12H2,1-2H3
InChIKeyBQKMRPVFEUYKSE-UHFFFAOYSA-N
XLogP1.99
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(5S)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-morpholin-4-ylmethanone
CID 97483169
(6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492303
[(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
[(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;2,2,2-trifluoroacetic acid
CID 127022640
N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-fluoropyrrolidine-3-carboxamide
CID 171334012
2-[(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-N,N-dimethylacetamide
CID 97482371
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
N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 118744023
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-(1-phenylcyclopropyl)methanone
CID 75527459
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 95043139
4-[[(5R)-2-benzyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97483058

Frequently Asked Questions

What is the IUPAC name of [8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1-fluorocyclopropyl)methanone?
The IUPAC name of [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) is [8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1-fluorocyclopropyl)methanone.
What is the SMILES notation for [8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1-fluorocyclopropyl)methanone?
The canonical SMILES for [8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1-fluorocyclopropyl)methanone is Cc1noc(C)c1CN1CCCC2(C1)CN(C(=O)C1(F)CC1)CCO2.
What is the InChIKey of [8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1-fluorocyclopropyl)methanone?
The InChIKey is BQKMRPVFEUYKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3/c1-13-15(14(2)25-20-13)10-21-7-3-4-17(11-21)12-22(8-9-24-17)16(23)18(19)5-6-18/h3-12H2,1-2H3.
What are the key properties of [8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1-fluorocyclopropyl)methanone?
[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1-fluorocyclopropyl)methanone has a molecular weight of 351.42 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1-fluorocyclopropyl)methanone is sourced from PubChem (CID 131688809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).