1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-methyl-1,3-benzoxazol-4-yl)oxy]ethanone

C17H20N2O5 — CID 91650844

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-methyl-1,3-benzoxazol-4-yl)oxy]ethanone
SMILESCc1nc2c(OCC(=O)N3CCC4(CC3)OCCO4)cccc2o1
InChIInChI=1S/C17H20N2O5/c1-12-18-16-13(3-2-4-14(16)24-12)21-11-15(20)19-7-5-17(6-8-19)22-9-10-23-17/h2-4H,5-11H2,1H3
InChIKeyUNDOZKGQVKETGW-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.88
Rot. Bonds3

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-methyl-1,3-benzoxazol-4-yl)oxy]ethanone

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-methyl-1,3-benzoxazol-4-yl)oxy]ethanone (PubChem CID 91650844) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-methyl-1,3-benzoxazol-4-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-methyl-1,3-benzoxazol-4-yl)oxy]ethanone
PubChem CID91650844
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-methyl-1,3-benzoxazol-4-yl)oxy]ethanone
SMILESCc1nc2c(OCC(=O)N3CCC4(CC3)OCCO4)cccc2o1
InChIInChI=1S/C17H20N2O5/c1-12-18-16-13(3-2-4-14(16)24-12)21-11-15(20)19-7-5-17(6-8-19)22-9-10-23-17/h2-4H,5-11H2,1H3
InChIKeyUNDOZKGQVKETGW-UHFFFAOYSA-N
XLogP1.88
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,1,3-benzothiadiazol-4-yloxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 7692565
2-(4-chloro-2-methylphenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 17173653
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenoxy)ethanone
CID 110755929
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethanone
CID 110773832
2-(3,4-dimethylphenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 112977915
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 134060037
4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one
CID 3244800
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethoxyphenyl)propan-1-one
CID 134060202
1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-yloxyethanone
CID 90510476
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 38377896
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone
CID 17250136
[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20929909

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-methyl-1,3-benzoxazol-4-yl)oxy]ethanone?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-methyl-1,3-benzoxazol-4-yl)oxy]ethanone (CID 91650844) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-methyl-1,3-benzoxazol-4-yl)oxy]ethanone.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-methyl-1,3-benzoxazol-4-yl)oxy]ethanone?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-methyl-1,3-benzoxazol-4-yl)oxy]ethanone is Cc1nc2c(OCC(=O)N3CCC4(CC3)OCCO4)cccc2o1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-methyl-1,3-benzoxazol-4-yl)oxy]ethanone?
The InChIKey is UNDOZKGQVKETGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-12-18-16-13(3-2-4-14(16)24-12)21-11-15(20)19-7-5-17(6-8-19)22-9-10-23-17/h2-4H,5-11H2,1H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-methyl-1,3-benzoxazol-4-yl)oxy]ethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-methyl-1,3-benzoxazol-4-yl)oxy]ethanone has a molecular weight of 332.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-methyl-1,3-benzoxazol-4-yl)oxy]ethanone is sourced from PubChem (CID 91650844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).