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

C18H27N3O5 — CID 171318333

IUPAC3,3-dimethyl-1-[4-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]butan-1-one
SMILESCc1ncoc1C(=O)N1CCOC2(CN(C(=O)CC(C)(C)C)CCO2)C1
InChIInChI=1S/C18H27N3O5/c1-13-15(24-12-19-13)16(23)21-6-8-26-18(11-21)10-20(5-7-25-18)14(22)9-17(2,3)4/h12H,5-11H2,1-4H3
InChIKeyOVXRJMHWQZOPQF-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.45
Rot. Bonds2

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

3,3-dimethyl-1-[4-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]butan-1-one (PubChem CID 171318333) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3,3-dimethyl-1-[4-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]butan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[4-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]butan-1-one
PubChem CID171318333
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Name3,3-dimethyl-1-[4-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]butan-1-one
SMILESCc1ncoc1C(=O)N1CCOC2(CN(C(=O)CC(C)(C)C)CCO2)C1
InChIInChI=1S/C18H27N3O5/c1-13-15(24-12-19-13)16(23)21-6-8-26-18(11-21)10-20(5-7-25-18)14(22)9-17(2,3)4/h12H,5-11H2,1-4H3
InChIKeyOVXRJMHWQZOPQF-UHFFFAOYSA-N
XLogP1.45
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[4-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]butan-1-one?
The IUPAC name of 3,3-dimethyl-1-[4-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]butan-1-one (CID 171318333) is 3,3-dimethyl-1-[4-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]butan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-[4-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]butan-1-one?
The canonical SMILES for 3,3-dimethyl-1-[4-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]butan-1-one is Cc1ncoc1C(=O)N1CCOC2(CN(C(=O)CC(C)(C)C)CCO2)C1.
What is the InChIKey of 3,3-dimethyl-1-[4-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]butan-1-one?
The InChIKey is OVXRJMHWQZOPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5/c1-13-15(24-12-19-13)16(23)21-6-8-26-18(11-21)10-20(5-7-25-18)14(22)9-17(2,3)4/h12H,5-11H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-[4-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]butan-1-one?
3,3-dimethyl-1-[4-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]butan-1-one has a molecular weight of 365.43 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[4-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]butan-1-one is sourced from PubChem (CID 171318333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).