2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-phenylmethoxy-1,3-benzoxazole

C19H18N2O3 — CID 146454151

IUPAC2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-phenylmethoxy-1,3-benzoxazole
SMILESc1ccc(COc2ccc3nc(N4CC5(COC5)C4)oc3c2)cc1
InChIInChI=1S/C19H18N2O3/c1-2-4-14(5-3-1)9-23-15-6-7-16-17(8-15)24-18(20-16)21-10-19(11-21)12-22-13-19/h1-8H,9-13H2
InChIKeyGLFUJXGHVBNBGY-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.24
Rot. Bonds4

About 2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-phenylmethoxy-1,3-benzoxazole

2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-phenylmethoxy-1,3-benzoxazole (PubChem CID 146454151) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-phenylmethoxy-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-phenylmethoxy-1,3-benzoxazole
PubChem CID146454151
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-phenylmethoxy-1,3-benzoxazole
SMILESc1ccc(COc2ccc3nc(N4CC5(COC5)C4)oc3c2)cc1
InChIInChI=1S/C19H18N2O3/c1-2-4-14(5-3-1)9-23-15-6-7-16-17(8-15)24-18(20-16)21-10-19(11-21)12-22-13-19/h1-8H,9-13H2
InChIKeyGLFUJXGHVBNBGY-UHFFFAOYSA-N
XLogP3.24
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-phenylmethoxy-1,3-benzoxazole?
The IUPAC name of 2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-phenylmethoxy-1,3-benzoxazole (CID 146454151) is 2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-phenylmethoxy-1,3-benzoxazole.
What is the SMILES notation for 2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-phenylmethoxy-1,3-benzoxazole?
The canonical SMILES for 2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-phenylmethoxy-1,3-benzoxazole is c1ccc(COc2ccc3nc(N4CC5(COC5)C4)oc3c2)cc1.
What is the InChIKey of 2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-phenylmethoxy-1,3-benzoxazole?
The InChIKey is GLFUJXGHVBNBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-4-14(5-3-1)9-23-15-6-7-16-17(8-15)24-18(20-16)21-10-19(11-21)12-22-13-19/h1-8H,9-13H2.
What are the key properties of 2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-phenylmethoxy-1,3-benzoxazole?
2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-phenylmethoxy-1,3-benzoxazole has a molecular weight of 322.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-phenylmethoxy-1,3-benzoxazole is sourced from PubChem (CID 146454151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).