(3S)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole

C15H19NO3 — CID 90220044

IUPAC(3S)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole
SMILESC[C@@H]1ON=C2COC(COCc3ccccc3)CC21
InChIInChI=1S/C15H19NO3/c1-11-14-7-13(18-10-15(14)16-19-11)9-17-8-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3/t11-,13?,14?/m0/s1
InChIKeyYEGGLYKITKKWPY-XGNXJENSSA-N
MW261.32 g/mol
LogP2.38
Rot. Bonds4

About (3S)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole

(3S)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole (PubChem CID 90220044) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3S)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole.

Molecular Properties

Compound Name(3S)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole
PubChem CID90220044
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(3S)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole
SMILESC[C@@H]1ON=C2COC(COCc3ccccc3)CC21
InChIInChI=1S/C15H19NO3/c1-11-14-7-13(18-10-15(14)16-19-11)9-17-8-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3/t11-,13?,14?/m0/s1
InChIKeyYEGGLYKITKKWPY-XGNXJENSSA-N
XLogP2.38
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,3aR,5R)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole
CID 86701084
4,5-dimethyl-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 154712027
(5S)-5-(phenylmethoxymethyl)oxolan-3-one
CID 168857190
(2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane
CID 11086853
2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71099139
(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol
CID 24764148
(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493
(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10680435
[5-imino-2-(phenylmethoxymethyl)oxan-4-yl]methanol
CID 134257266
(3S,4S,6S)-4,6-dimethyl-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 126550257
(2R,4S,6R)-2-methyl-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-amine
CID 118563862
trimethyl-[(2S,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]silane
CID 11736511

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole?
The IUPAC name of (3S)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole (CID 90220044) is (3S)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole.
What is the SMILES notation for (3S)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole?
The canonical SMILES for (3S)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole is C[C@@H]1ON=C2COC(COCc3ccccc3)CC21.
What is the InChIKey of (3S)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole?
The InChIKey is YEGGLYKITKKWPY-XGNXJENSSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-14-7-13(18-10-15(14)16-19-11)9-17-8-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3/t11-,13?,14?/m0/s1.
What are the key properties of (3S)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole?
(3S)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole has a molecular weight of 261.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole is sourced from PubChem (CID 90220044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).