[(3R,5S)-3,5-bis(3-methylphenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol

C20H23NO3 — CID 16722290

IUPAC[(3R,5S)-3,5-bis(3-methylphenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
SMILESCc1cccc([C@H]2OCC3(CO)CO[C@@H](c4cccc(C)c4)N23)c1
InChIInChI=1S/C20H23NO3/c1-14-5-3-7-16(9-14)18-21-19(17-8-4-6-15(2)10-17)24-13-20(21,11-22)12-23-18/h3-10,18-19,22H,11-13H2,1-2H3/t18-,19+,20?
InChIKeyPPOVVLJBSKNZCL-YOFSQIOKSA-N
MW325.41 g/mol
LogP3.09
Rot. Bonds3

About [(3R,5S)-3,5-bis(3-methylphenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol

[(3R,5S)-3,5-bis(3-methylphenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol (PubChem CID 16722290) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(3R,5S)-3,5-bis(3-methylphenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol.

Molecular Properties

Compound Name[(3R,5S)-3,5-bis(3-methylphenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
PubChem CID16722290
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[(3R,5S)-3,5-bis(3-methylphenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
SMILESCc1cccc([C@H]2OCC3(CO)CO[C@@H](c4cccc(C)c4)N23)c1
InChIInChI=1S/C20H23NO3/c1-14-5-3-7-16(9-14)18-21-19(17-8-4-6-15(2)10-17)24-13-20(21,11-22)12-23-18/h3-10,18-19,22H,11-13H2,1-2H3/t18-,19+,20?
InChIKeyPPOVVLJBSKNZCL-YOFSQIOKSA-N
XLogP3.09
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3,5-bis(3-methylphenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The IUPAC name of [(3R,5S)-3,5-bis(3-methylphenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol (CID 16722290) is [(3R,5S)-3,5-bis(3-methylphenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol.
What is the SMILES notation for [(3R,5S)-3,5-bis(3-methylphenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The canonical SMILES for [(3R,5S)-3,5-bis(3-methylphenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol is Cc1cccc([C@H]2OCC3(CO)CO[C@@H](c4cccc(C)c4)N23)c1.
What is the InChIKey of [(3R,5S)-3,5-bis(3-methylphenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The InChIKey is PPOVVLJBSKNZCL-YOFSQIOKSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14-5-3-7-16(9-14)18-21-19(17-8-4-6-15(2)10-17)24-13-20(21,11-22)12-23-18/h3-10,18-19,22H,11-13H2,1-2H3/t18-,19+,20?.
What are the key properties of [(3R,5S)-3,5-bis(3-methylphenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
[(3R,5S)-3,5-bis(3-methylphenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol has a molecular weight of 325.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3,5-bis(3-methylphenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol is sourced from PubChem (CID 16722290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).