(6R)-6-(phenylmethoxymethyl)-3a,4,6,7-tetrahydro-3H-pyrano[4,3-c][1,2]oxazole

C14H17NO3 — CID 143834731

IUPAC(6R)-6-(phenylmethoxymethyl)-3a,4,6,7-tetrahydro-3H-pyrano[4,3-c][1,2]oxazole
SMILESc1ccc(COC[C@H]2CC3=NOCC3CO2)cc1
InChIInChI=1S/C14H17NO3/c1-2-4-11(5-3-1)7-16-10-13-6-14-12(8-17-13)9-18-15-14/h1-5,12-13H,6-10H2/t12?,13-/m1/s1
InChIKeyOFZXJRHSFXIOED-ZGTCLIOFSA-N
MW247.29 g/mol
LogP1.99
Rot. Bonds4

About (6R)-6-(phenylmethoxymethyl)-3a,4,6,7-tetrahydro-3H-pyrano[4,3-c][1,2]oxazole

(6R)-6-(phenylmethoxymethyl)-3a,4,6,7-tetrahydro-3H-pyrano[4,3-c][1,2]oxazole (PubChem CID 143834731) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (6R)-6-(phenylmethoxymethyl)-3a,4,6,7-tetrahydro-3H-pyrano[4,3-c][1,2]oxazole.

Molecular Properties

Compound Name(6R)-6-(phenylmethoxymethyl)-3a,4,6,7-tetrahydro-3H-pyrano[4,3-c][1,2]oxazole
PubChem CID143834731
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(6R)-6-(phenylmethoxymethyl)-3a,4,6,7-tetrahydro-3H-pyrano[4,3-c][1,2]oxazole
SMILESc1ccc(COC[C@H]2CC3=NOCC3CO2)cc1
InChIInChI=1S/C14H17NO3/c1-2-4-11(5-3-1)7-16-10-13-6-14-12(8-17-13)9-18-15-14/h1-5,12-13H,6-10H2/t12?,13-/m1/s1
InChIKeyOFZXJRHSFXIOED-ZGTCLIOFSA-N
XLogP1.99
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
(5S)-5-(phenylmethoxymethyl)oxolan-3-one
CID 168857190
(2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane
CID 11086853
4,5-dimethyl-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 154712027
oxolane;(2R)-2-(phenylmethoxymethyl)oxirane
CID 175076963
(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol
CID 24764148
(2R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 130750045
(2S)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 46862703
2-(chloromethyl)oxirane;phenylmethanol;2-(phenylmethoxymethyl)oxirane
CID 163898082
(3S)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole
CID 90220044
(3S,3aR,5R)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole
CID 86701084
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(phenylmethoxymethyl)-3a,4,6,7-tetrahydro-3H-pyrano[4,3-c][1,2]oxazole?
The IUPAC name of (6R)-6-(phenylmethoxymethyl)-3a,4,6,7-tetrahydro-3H-pyrano[4,3-c][1,2]oxazole (CID 143834731) is (6R)-6-(phenylmethoxymethyl)-3a,4,6,7-tetrahydro-3H-pyrano[4,3-c][1,2]oxazole.
What is the SMILES notation for (6R)-6-(phenylmethoxymethyl)-3a,4,6,7-tetrahydro-3H-pyrano[4,3-c][1,2]oxazole?
The canonical SMILES for (6R)-6-(phenylmethoxymethyl)-3a,4,6,7-tetrahydro-3H-pyrano[4,3-c][1,2]oxazole is c1ccc(COC[C@H]2CC3=NOCC3CO2)cc1.
What is the InChIKey of (6R)-6-(phenylmethoxymethyl)-3a,4,6,7-tetrahydro-3H-pyrano[4,3-c][1,2]oxazole?
The InChIKey is OFZXJRHSFXIOED-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-4-11(5-3-1)7-16-10-13-6-14-12(8-17-13)9-18-15-14/h1-5,12-13H,6-10H2/t12?,13-/m1/s1.
What are the key properties of (6R)-6-(phenylmethoxymethyl)-3a,4,6,7-tetrahydro-3H-pyrano[4,3-c][1,2]oxazole?
(6R)-6-(phenylmethoxymethyl)-3a,4,6,7-tetrahydro-3H-pyrano[4,3-c][1,2]oxazole has a molecular weight of 247.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(phenylmethoxymethyl)-3a,4,6,7-tetrahydro-3H-pyrano[4,3-c][1,2]oxazole is sourced from PubChem (CID 143834731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).