(2R,4S,5R)-N-benzhydryl-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxamide

C19H21NO4 — CID 155562611

IUPAC(2R,4S,5R)-N-benzhydryl-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C19H21NO4/c21-12-17-15(22)11-16(24-17)19(23)20-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-18,21-22H,11-12H2,(H,20,23)/t15-,16+,17+/m0/s1
InChIKeyXNRSYDTVBXKMSF-GVDBMIGSSA-N
MW327.38 g/mol
LogP1.40
Rot. Bonds5

About (2R,4S,5R)-N-benzhydryl-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxamide

(2R,4S,5R)-N-benzhydryl-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxamide (PubChem CID 155562611) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2R,4S,5R)-N-benzhydryl-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,4S,5R)-N-benzhydryl-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxamide
PubChem CID155562611
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(2R,4S,5R)-N-benzhydryl-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C19H21NO4/c21-12-17-15(22)11-16(24-17)19(23)20-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-18,21-22H,11-12H2,(H,20,23)/t15-,16+,17+/m0/s1
InChIKeyXNRSYDTVBXKMSF-GVDBMIGSSA-N
XLogP1.40
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-N-benzhydryl-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,4S,5R)-N-benzhydryl-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxamide (CID 155562611) is (2R,4S,5R)-N-benzhydryl-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,4S,5R)-N-benzhydryl-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,4S,5R)-N-benzhydryl-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)[C@H]1C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,4S,5R)-N-benzhydryl-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxamide?
The InChIKey is XNRSYDTVBXKMSF-GVDBMIGSSA-N. The full InChI is InChI=1S/C19H21NO4/c21-12-17-15(22)11-16(24-17)19(23)20-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-18,21-22H,11-12H2,(H,20,23)/t15-,16+,17+/m0/s1.
What are the key properties of (2R,4S,5R)-N-benzhydryl-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxamide?
(2R,4S,5R)-N-benzhydryl-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-N-benzhydryl-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxamide is sourced from PubChem (CID 155562611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).