4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3-oxazole-2-carboxamide

C30H30N2O6 — CID 154664850

IUPAC4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3-oxazole-2-carboxamide
SMILESNC(=O)c1nc([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)co1
InChIInChI=1S/C30H30N2O6/c31-29(33)30-32-24(19-37-30)26-28(36-18-23-14-8-3-9-15-23)27(35-17-22-12-6-2-7-13-22)25(38-26)20-34-16-21-10-4-1-5-11-21/h1-15,19,25-28H,16-18,20H2,(H2,31,33)/t25-,26+,27-,28+/m1/s1
InChIKeyWXRTWZNBHDOFBR-GCFVYEKYSA-N
MW514.58 g/mol
LogP4.60
Rot. Bonds12

About 4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3-oxazole-2-carboxamide

4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3-oxazole-2-carboxamide (PubChem CID 154664850) has the molecular formula C30H30N2O6 and a molecular weight of 514.58 g/mol. Its IUPAC name is 4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3-oxazole-2-carboxamide
PubChem CID154664850
Molecular FormulaC30H30N2O6
Molecular Weight514.58 g/mol
Exact Mass514.21
IUPAC Name4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3-oxazole-2-carboxamide
SMILESNC(=O)c1nc([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)co1
InChIInChI=1S/C30H30N2O6/c31-29(33)30-32-24(19-37-30)26-28(36-18-23-14-8-3-9-15-23)27(35-17-22-12-6-2-7-13-22)25(38-26)20-34-16-21-10-4-1-5-11-21/h1-15,19,25-28H,16-18,20H2,(H2,31,33)/t25-,26+,27-,28+/m1/s1
InChIKeyWXRTWZNBHDOFBR-GCFVYEKYSA-N
XLogP4.60
TPSA106.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.58
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3-oxazol-2-yl]ethane-1,2-diol
CID 157021224
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
5-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide
CID 154664806
2-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
CID 138645338
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
(2S,3S,4R,5R,6R)-2-phenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11422041
3-amino-4-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]furan-2-carbothioamide
CID 87085624
(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carboxylic acid
CID 102396248
(2S,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 123970736
(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 10950430
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3-oxazole-2-carboxamide?
The IUPAC name of 4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3-oxazole-2-carboxamide (CID 154664850) is 4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for 4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3-oxazole-2-carboxamide is NC(=O)c1nc([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)co1.
What is the InChIKey of 4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3-oxazole-2-carboxamide?
The InChIKey is WXRTWZNBHDOFBR-GCFVYEKYSA-N. The full InChI is InChI=1S/C30H30N2O6/c31-29(33)30-32-24(19-37-30)26-28(36-18-23-14-8-3-9-15-23)27(35-17-22-12-6-2-7-13-22)25(38-26)20-34-16-21-10-4-1-5-11-21/h1-15,19,25-28H,16-18,20H2,(H2,31,33)/t25-,26+,27-,28+/m1/s1.
What are the key properties of 4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3-oxazole-2-carboxamide?
4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3-oxazole-2-carboxamide has a molecular weight of 514.58 g/mol, XLogP of 4.60, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 154664850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).