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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Related Compounds

6-(6-phenylmethoxyquinolin-3-yl)-2-oxa-6-azaspiro[3.3]heptane
CID 89443300
tert-butyl N-[(E)-3-fluoro-2-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3-benzoxazol-6-yl]oxymethyl]prop-2-enyl]carbamate;2-chloro-6-phenylmethoxy-1,3-benzoxazole;(E)-3-fluoro-2-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3-benzoxazol-6-yl]oxymethyl]prop-2-en-1-amine;4-methylbenzenesulfonic acid;2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3-benzoxazol-6-ol;2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-6-phenylmethoxy-1,3-benzoxazole
CID 163451244
(4-phenylmethoxyphenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 16591321
methyl 6-methoxy-2-(6-methoxy-1,3-benzoxazol-2-yl)-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 175090411
6-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzoxazole
CID 175639874
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 4-phenylmethoxybenzoate
CID 110494815
2-methyl-6-phenylmethoxyquinoline
CID 82580854
6-(2-phenylmethoxyethyl)-2-oxa-6-azaspiro[3.3]heptane
CID 170714850
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
4-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxymethyl]aniline
CID 117098415
[4-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxymethyl]phenyl]methanamine
CID 117098416
1,1-dimethyl-5-phenylmethoxy-2,3-dihydroindol-1-ium
CID 76846919

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).