2,2-difluoro-1-[10-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]propan-1-one

C15H19F2N3O5 — CID 171318317

IUPAC2,2-difluoro-1-[10-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]propan-1-one
SMILESCc1ncoc1C(=O)N1CCOC2(C1)CN(C(=O)C(C)(F)F)CCO2
InChIInChI=1S/C15H19F2N3O5/c1-10-11(23-9-18-10)12(21)19-3-5-24-15(7-19)8-20(4-6-25-15)13(22)14(2,16)17/h9H,3-8H2,1-2H3
InChIKeyAZHFWNNLQHXNQD-UHFFFAOYSA-N
MW359.33 g/mol
LogP0.67
Rot. Bonds2

About 2,2-difluoro-1-[10-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]propan-1-one

2,2-difluoro-1-[10-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]propan-1-one (PubChem CID 171318317) has the molecular formula C15H19F2N3O5 and a molecular weight of 359.33 g/mol. Its IUPAC name is 2,2-difluoro-1-[10-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]propan-1-one.

Molecular Properties

Compound Name2,2-difluoro-1-[10-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]propan-1-one
PubChem CID171318317
Molecular FormulaC15H19F2N3O5
Molecular Weight359.33 g/mol
Exact Mass359.13
IUPAC Name2,2-difluoro-1-[10-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]propan-1-one
SMILESCc1ncoc1C(=O)N1CCOC2(C1)CN(C(=O)C(C)(F)F)CCO2
InChIInChI=1S/C15H19F2N3O5/c1-10-11(23-9-18-10)12(21)19-3-5-24-15(7-19)8-20(4-6-25-15)13(22)14(2,16)17/h9H,3-8H2,1-2H3
InChIKeyAZHFWNNLQHXNQD-UHFFFAOYSA-N
XLogP0.67
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[10-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]propan-1-one?
The IUPAC name of 2,2-difluoro-1-[10-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]propan-1-one (CID 171318317) is 2,2-difluoro-1-[10-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]propan-1-one.
What is the SMILES notation for 2,2-difluoro-1-[10-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]propan-1-one?
The canonical SMILES for 2,2-difluoro-1-[10-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]propan-1-one is Cc1ncoc1C(=O)N1CCOC2(C1)CN(C(=O)C(C)(F)F)CCO2.
What is the InChIKey of 2,2-difluoro-1-[10-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]propan-1-one?
The InChIKey is AZHFWNNLQHXNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O5/c1-10-11(23-9-18-10)12(21)19-3-5-24-15(7-19)8-20(4-6-25-15)13(22)14(2,16)17/h9H,3-8H2,1-2H3.
What are the key properties of 2,2-difluoro-1-[10-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]propan-1-one?
2,2-difluoro-1-[10-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]propan-1-one has a molecular weight of 359.33 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[10-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]propan-1-one is sourced from PubChem (CID 171318317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).