[4-(1-fluorocyclopropanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

C16H20FN3O5 — CID 171318319

IUPAC[4-(1-fluorocyclopropanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CCOC2(C1)CN(C(=O)C1(F)CC1)CCO2
InChIInChI=1S/C16H20FN3O5/c1-11-12(23-10-18-11)13(21)19-4-6-24-16(8-19)9-20(5-7-25-16)14(22)15(17)2-3-15/h10H,2-9H2,1H3
InChIKeyUMZGOGVPNRIWLY-UHFFFAOYSA-N
MW353.35 g/mol
LogP0.51
Rot. Bonds2

About [4-(1-fluorocyclopropanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

[4-(1-fluorocyclopropanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 171318319) has the molecular formula C16H20FN3O5 and a molecular weight of 353.35 g/mol. Its IUPAC name is [4-(1-fluorocyclopropanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(1-fluorocyclopropanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID171318319
Molecular FormulaC16H20FN3O5
Molecular Weight353.35 g/mol
Exact Mass353.14
IUPAC Name[4-(1-fluorocyclopropanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CCOC2(C1)CN(C(=O)C1(F)CC1)CCO2
InChIInChI=1S/C16H20FN3O5/c1-11-12(23-10-18-11)13(21)19-4-6-24-16(8-19)9-20(5-7-25-16)14(22)15(17)2-3-15/h10H,2-9H2,1H3
InChIKeyUMZGOGVPNRIWLY-UHFFFAOYSA-N
XLogP0.51
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(1-fluorocyclopropanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [4-(1-fluorocyclopropanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 171318319) is [4-(1-fluorocyclopropanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(1-fluorocyclopropanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [4-(1-fluorocyclopropanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1ncoc1C(=O)N1CCOC2(C1)CN(C(=O)C1(F)CC1)CCO2.
What is the InChIKey of [4-(1-fluorocyclopropanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is UMZGOGVPNRIWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O5/c1-11-12(23-10-18-11)13(21)19-4-6-24-16(8-19)9-20(5-7-25-16)14(22)15(17)2-3-15/h10H,2-9H2,1H3.
What are the key properties of [4-(1-fluorocyclopropanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[4-(1-fluorocyclopropanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 353.35 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-fluorocyclopropanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 171318319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).