1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydro-1H-furo[3,2-d][1,3]oxazol-5-yl)ethane-1,2-diol

C16H23NO5 — CID 123343890

IUPAC1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydro-1H-furo[3,2-d][1,3]oxazol-5-yl)ethane-1,2-diol
SMILESCC1(C)NC2C(OC(C(O)CO)C2OCc2ccccc2)O1
InChIInChI=1S/C16H23NO5/c1-16(2)17-12-14(20-9-10-6-4-3-5-7-10)13(11(19)8-18)21-15(12)22-16/h3-7,11-15,17-19H,8-9H2,1-2H3
InChIKeyKLAVUKVMAVXDRG-UHFFFAOYSA-N
MW309.36 g/mol
LogP0.37
Rot. Bonds5

About 1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydro-1H-furo[3,2-d][1,3]oxazol-5-yl)ethane-1,2-diol

1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydro-1H-furo[3,2-d][1,3]oxazol-5-yl)ethane-1,2-diol (PubChem CID 123343890) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydro-1H-furo[3,2-d][1,3]oxazol-5-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydro-1H-furo[3,2-d][1,3]oxazol-5-yl)ethane-1,2-diol
PubChem CID123343890
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydro-1H-furo[3,2-d][1,3]oxazol-5-yl)ethane-1,2-diol
SMILESCC1(C)NC2C(OC(C(O)CO)C2OCc2ccccc2)O1
InChIInChI=1S/C16H23NO5/c1-16(2)17-12-14(20-9-10-6-4-3-5-7-10)13(11(19)8-18)21-15(12)22-16/h3-7,11-15,17-19H,8-9H2,1-2H3
InChIKeyKLAVUKVMAVXDRG-UHFFFAOYSA-N
XLogP0.37
TPSA80.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydro-1H-furo[3,2-d][1,3]oxazol-5-yl)ethane-1,2-diol with MolForge

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Related Compounds

1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
CID 563648
(1R)-1-[(2S,3S,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
CID 22215147
(1S)-1-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethanol
CID 101047701
(1R)-1-[(3aS,5R,6S,6aS)-6-[(4-ethoxyphenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 11877048
(1R)-1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]hept-3-yne-1,7-diol
CID 14544167
(1S)-1-[(3aR,5R,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol
CID 159325114
(1R)-1-[(3aS,5R,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]but-3-yn-1-ol
CID 11109943
(1R)-1-[(3aR,5R)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[dimethyl(phenyl)silyl]ethanol
CID 164671259
2-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-hydroxyacetonitrile
CID 75032875
(2S)-2-[(3aR,5R)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyacetonitrile
CID 143348073
(1R)-1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-nitroethanol
CID 11602517
(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-[(4-pentoxyphenyl)methoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 7996788

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydro-1H-furo[3,2-d][1,3]oxazol-5-yl)ethane-1,2-diol?
The IUPAC name of 1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydro-1H-furo[3,2-d][1,3]oxazol-5-yl)ethane-1,2-diol (CID 123343890) is 1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydro-1H-furo[3,2-d][1,3]oxazol-5-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydro-1H-furo[3,2-d][1,3]oxazol-5-yl)ethane-1,2-diol?
The canonical SMILES for 1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydro-1H-furo[3,2-d][1,3]oxazol-5-yl)ethane-1,2-diol is CC1(C)NC2C(OC(C(O)CO)C2OCc2ccccc2)O1.
What is the InChIKey of 1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydro-1H-furo[3,2-d][1,3]oxazol-5-yl)ethane-1,2-diol?
The InChIKey is KLAVUKVMAVXDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-16(2)17-12-14(20-9-10-6-4-3-5-7-10)13(11(19)8-18)21-15(12)22-16/h3-7,11-15,17-19H,8-9H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydro-1H-furo[3,2-d][1,3]oxazol-5-yl)ethane-1,2-diol?
1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydro-1H-furo[3,2-d][1,3]oxazol-5-yl)ethane-1,2-diol has a molecular weight of 309.36 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydro-1H-furo[3,2-d][1,3]oxazol-5-yl)ethane-1,2-diol is sourced from PubChem (CID 123343890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).