5-hydroxy-4-(phenylmethoxymethyl)-3H-1,3-oxazol-2-one

C11H11NO4 — CID 123835412

IUPAC5-hydroxy-4-(phenylmethoxymethyl)-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(COCc2ccccc2)c(O)o1
InChIInChI=1S/C11H11NO4/c13-10-9(12-11(14)16-10)7-15-6-8-4-2-1-3-5-8/h1-5,13H,6-7H2,(H,12,14)
InChIKeyOOMNPNRCNSEZLC-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.39
Rot. Bonds4

About 5-hydroxy-4-(phenylmethoxymethyl)-3H-1,3-oxazol-2-one

5-hydroxy-4-(phenylmethoxymethyl)-3H-1,3-oxazol-2-one (PubChem CID 123835412) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 5-hydroxy-4-(phenylmethoxymethyl)-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-hydroxy-4-(phenylmethoxymethyl)-3H-1,3-oxazol-2-one
PubChem CID123835412
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name5-hydroxy-4-(phenylmethoxymethyl)-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(COCc2ccccc2)c(O)o1
InChIInChI=1S/C11H11NO4/c13-10-9(12-11(14)16-10)7-15-6-8-4-2-1-3-5-8/h1-5,13H,6-7H2,(H,12,14)
InChIKeyOOMNPNRCNSEZLC-UHFFFAOYSA-N
XLogP1.39
TPSA75.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-(phenylmethoxymethyl)-3H-1,3-oxazol-2-one?
The IUPAC name of 5-hydroxy-4-(phenylmethoxymethyl)-3H-1,3-oxazol-2-one (CID 123835412) is 5-hydroxy-4-(phenylmethoxymethyl)-3H-1,3-oxazol-2-one.
What is the SMILES notation for 5-hydroxy-4-(phenylmethoxymethyl)-3H-1,3-oxazol-2-one?
The canonical SMILES for 5-hydroxy-4-(phenylmethoxymethyl)-3H-1,3-oxazol-2-one is O=c1[nH]c(COCc2ccccc2)c(O)o1.
What is the InChIKey of 5-hydroxy-4-(phenylmethoxymethyl)-3H-1,3-oxazol-2-one?
The InChIKey is OOMNPNRCNSEZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c13-10-9(12-11(14)16-10)7-15-6-8-4-2-1-3-5-8/h1-5,13H,6-7H2,(H,12,14).
What are the key properties of 5-hydroxy-4-(phenylmethoxymethyl)-3H-1,3-oxazol-2-one?
5-hydroxy-4-(phenylmethoxymethyl)-3H-1,3-oxazol-2-one has a molecular weight of 221.21 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-(phenylmethoxymethyl)-3H-1,3-oxazol-2-one is sourced from PubChem (CID 123835412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).