1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethanone

C17H20N2O4 — CID 110773832

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethanone
SMILESCc1nc2cc(CC(=O)N3CCC4(CC3)OCCO4)ccc2o1
InChIInChI=1S/C17H20N2O4/c1-12-18-14-10-13(2-3-15(14)23-12)11-16(20)19-6-4-17(5-7-19)21-8-9-22-17/h2-3,10H,4-9,11H2,1H3
InChIKeyXIPBLWQTPJJYAS-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.04
Rot. Bonds2

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethanone

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethanone (PubChem CID 110773832) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethanone
PubChem CID110773832
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethanone
SMILESCc1nc2cc(CC(=O)N3CCC4(CC3)OCCO4)ccc2o1
InChIInChI=1S/C17H20N2O4/c1-12-18-14-10-13(2-3-15(14)23-12)11-16(20)19-6-4-17(5-7-19)21-8-9-22-17/h2-3,10H,4-9,11H2,1H3
InChIKeyXIPBLWQTPJJYAS-UHFFFAOYSA-N
XLogP2.04
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110773791
N,N-dimethyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-sulfonamide
CID 110805132
N-cyclopentyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-carboxamide
CID 110813196
2-(2-methyl-1,3-benzoxazol-5-yl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 110803012
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone
CID 110773059
3-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 110390559
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-methyl-1,3-benzoxazol-4-yl)oxy]ethanone
CID 91650844
3,3-dimethyl-1-[4-[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]piperazin-1-yl]butan-1-one
CID 110804061
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-methylpyrrol-3-yl)ethanone
CID 110768958
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2,4,5-trimethylphenyl)ethanone
CID 110769614
methyl 4-[4-[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 110801388
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-piperidin-1-ylphenyl)ethanone
CID 110648813

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-5-yl)ethanone?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethanone (CID 110773832) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethanone.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethanone?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethanone is Cc1nc2cc(CC(=O)N3CCC4(CC3)OCCO4)ccc2o1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethanone?
The InChIKey is XIPBLWQTPJJYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12-18-14-10-13(2-3-15(14)23-12)11-16(20)19-6-4-17(5-7-19)21-8-9-22-17/h2-3,10H,4-9,11H2,1H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethanone has a molecular weight of 316.36 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 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-5-yl)ethanone is sourced from PubChem (CID 110773832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).