1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(1,3-oxazol-2-yl)urea

C13H15N3O3 — CID 91650590

IUPAC1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(1,3-oxazol-2-yl)urea
SMILESO=C(Nc1ncco1)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C13H15N3O3/c17-9-11(8-10-4-2-1-3-5-10)15-12(18)16-13-14-6-7-19-13/h1-7,11,17H,8-9H2,(H2,14,15,16,18)/t11-/m1/s1
InChIKeyAZQTZEQORTXQHB-LLVKDONJSA-N
MW261.28 g/mol
LogP1.40
Rot. Bonds5

About 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(1,3-oxazol-2-yl)urea

1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(1,3-oxazol-2-yl)urea (PubChem CID 91650590) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(1,3-oxazol-2-yl)urea.

Molecular Properties

Compound Name1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(1,3-oxazol-2-yl)urea
PubChem CID91650590
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(1,3-oxazol-2-yl)urea
SMILESO=C(Nc1ncco1)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C13H15N3O3/c17-9-11(8-10-4-2-1-3-5-10)15-12(18)16-13-14-6-7-19-13/h1-7,11,17H,8-9H2,(H2,14,15,16,18)/t11-/m1/s1
InChIKeyAZQTZEQORTXQHB-LLVKDONJSA-N
XLogP1.40
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(1,3-oxazol-2-yl)urea?
The IUPAC name of 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(1,3-oxazol-2-yl)urea (CID 91650590) is 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(1,3-oxazol-2-yl)urea.
What is the SMILES notation for 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(1,3-oxazol-2-yl)urea?
The canonical SMILES for 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(1,3-oxazol-2-yl)urea is O=C(Nc1ncco1)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(1,3-oxazol-2-yl)urea?
The InChIKey is AZQTZEQORTXQHB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-9-11(8-10-4-2-1-3-5-10)15-12(18)16-13-14-6-7-19-13/h1-7,11,17H,8-9H2,(H2,14,15,16,18)/t11-/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(1,3-oxazol-2-yl)urea?
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(1,3-oxazol-2-yl)urea has a molecular weight of 261.28 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 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(1,3-oxazol-2-yl)urea is sourced from PubChem (CID 91650590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).