4-hydroxy-5-[(4R)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3H-1,3-oxazol-2-one

C12H11NO5 — CID 91586862

IUPAC4-hydroxy-5-[(4R)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(O)c([C@@H]2CCOc3cc(O)ccc32)o1
InChIInChI=1S/C12H11NO5/c14-6-1-2-7-8(3-4-17-9(7)5-6)10-11(15)13-12(16)18-10/h1-2,5,8,14-15H,3-4H2,(H,13,16)/t8-/m1/s1
InChIKeyRXPSSPUNERNEGG-MRVPVSSYSA-N
MW249.22 g/mol
LogP1.29
Rot. Bonds1

About 4-hydroxy-5-[(4R)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3H-1,3-oxazol-2-one

4-hydroxy-5-[(4R)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3H-1,3-oxazol-2-one (PubChem CID 91586862) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 4-hydroxy-5-[(4R)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(4R)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3H-1,3-oxazol-2-one
PubChem CID91586862
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name4-hydroxy-5-[(4R)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(O)c([C@@H]2CCOc3cc(O)ccc32)o1
InChIInChI=1S/C12H11NO5/c14-6-1-2-7-8(3-4-17-9(7)5-6)10-11(15)13-12(16)18-10/h1-2,5,8,14-15H,3-4H2,(H,13,16)/t8-/m1/s1
InChIKeyRXPSSPUNERNEGG-MRVPVSSYSA-N
XLogP1.29
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(4R)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3H-1,3-oxazol-2-one?
The IUPAC name of 4-hydroxy-5-[(4R)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3H-1,3-oxazol-2-one (CID 91586862) is 4-hydroxy-5-[(4R)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(4R)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-hydroxy-5-[(4R)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3H-1,3-oxazol-2-one is O=c1[nH]c(O)c([C@@H]2CCOc3cc(O)ccc32)o1.
What is the InChIKey of 4-hydroxy-5-[(4R)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3H-1,3-oxazol-2-one?
The InChIKey is RXPSSPUNERNEGG-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H11NO5/c14-6-1-2-7-8(3-4-17-9(7)5-6)10-11(15)13-12(16)18-10/h1-2,5,8,14-15H,3-4H2,(H,13,16)/t8-/m1/s1.
What are the key properties of 4-hydroxy-5-[(4R)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3H-1,3-oxazol-2-one?
4-hydroxy-5-[(4R)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3H-1,3-oxazol-2-one has a molecular weight of 249.22 g/mol, XLogP of 1.29, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(4R)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3H-1,3-oxazol-2-one is sourced from PubChem (CID 91586862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).