7-(1,3-benzoxazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane

C13H14N2O3 — CID 130799617

IUPAC7-(1,3-benzoxazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESc1ccc2oc(N3CCC4(C3)OCCO4)nc2c1
InChIInChI=1S/C13H14N2O3/c1-2-4-11-10(3-1)14-12(18-11)15-6-5-13(9-15)16-7-8-17-13/h1-4H,5-9H2
InChIKeyVFCKYBKJTQZPGU-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.78
Rot. Bonds1

About 7-(1,3-benzoxazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane

7-(1,3-benzoxazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane (PubChem CID 130799617) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 7-(1,3-benzoxazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(1,3-benzoxazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane
PubChem CID130799617
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name7-(1,3-benzoxazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESc1ccc2oc(N3CCC4(C3)OCCO4)nc2c1
InChIInChI=1S/C13H14N2O3/c1-2-4-11-10(3-1)14-12(18-11)15-6-5-13(9-15)16-7-8-17-13/h1-4H,5-9H2
InChIKeyVFCKYBKJTQZPGU-UHFFFAOYSA-N
XLogP1.78
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(1,3-benzoxazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane with MolForge

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Related Compounds

2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
8-(1,3-benzoxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 154829410
8-(1,3-benzoxazol-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one
CID 131850050
7-(2,1-benzothiazol-3-yl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 131122940
1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol
CID 106673452
4-(1,3-benzoxazol-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
CID 133479475
2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-benzoxazole
CID 36581573
(3R)-1-(1,3-benzoxazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482521
7,10-bis(1,3-benzoxazol-2-yl)-1-oxa-4,13-dithia-7,10-diazacyclopentadecane
CID 15321742
[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol
CID 62371883
8-(3-chloroquinoxalin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 2002727
2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole
CID 24805905

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzoxazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-(1,3-benzoxazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane (CID 130799617) is 7-(1,3-benzoxazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-(1,3-benzoxazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-(1,3-benzoxazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane is c1ccc2oc(N3CCC4(C3)OCCO4)nc2c1.
What is the InChIKey of 7-(1,3-benzoxazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane?
The InChIKey is VFCKYBKJTQZPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-2-4-11-10(3-1)14-12(18-11)15-6-5-13(9-15)16-7-8-17-13/h1-4H,5-9H2.
What are the key properties of 7-(1,3-benzoxazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane?
7-(1,3-benzoxazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane has a molecular weight of 246.27 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzoxazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 130799617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).