5-[(1S,2S)-2-methylcyclopropyl]-2-phenyl-1,3-oxazole

C13H13NO — CID 130467178

IUPAC5-[(1S,2S)-2-methylcyclopropyl]-2-phenyl-1,3-oxazole
SMILESC[C@H]1C[C@@H]1c1cnc(-c2ccccc2)o1
InChIInChI=1S/C13H13NO/c1-9-7-11(9)12-8-14-13(15-12)10-5-3-2-4-6-10/h2-6,8-9,11H,7H2,1H3/t9-,11-/m0/s1
InChIKeyNKZQBGLQQMXZNH-ONGXEEELSA-N
MW199.25 g/mol
LogP3.46
Rot. Bonds2

About 5-[(1S,2S)-2-methylcyclopropyl]-2-phenyl-1,3-oxazole

5-[(1S,2S)-2-methylcyclopropyl]-2-phenyl-1,3-oxazole (PubChem CID 130467178) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-[(1S,2S)-2-methylcyclopropyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-[(1S,2S)-2-methylcyclopropyl]-2-phenyl-1,3-oxazole
PubChem CID130467178
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name5-[(1S,2S)-2-methylcyclopropyl]-2-phenyl-1,3-oxazole
SMILESC[C@H]1C[C@@H]1c1cnc(-c2ccccc2)o1
InChIInChI=1S/C13H13NO/c1-9-7-11(9)12-8-14-13(15-12)10-5-3-2-4-6-10/h2-6,8-9,11H,7H2,1H3/t9-,11-/m0/s1
InChIKeyNKZQBGLQQMXZNH-ONGXEEELSA-N
XLogP3.46
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2S)-2-methylcyclopropyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 5-[(1S,2S)-2-methylcyclopropyl]-2-phenyl-1,3-oxazole (CID 130467178) is 5-[(1S,2S)-2-methylcyclopropyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-[(1S,2S)-2-methylcyclopropyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-[(1S,2S)-2-methylcyclopropyl]-2-phenyl-1,3-oxazole is C[C@H]1C[C@@H]1c1cnc(-c2ccccc2)o1.
What is the InChIKey of 5-[(1S,2S)-2-methylcyclopropyl]-2-phenyl-1,3-oxazole?
The InChIKey is NKZQBGLQQMXZNH-ONGXEEELSA-N. The full InChI is InChI=1S/C13H13NO/c1-9-7-11(9)12-8-14-13(15-12)10-5-3-2-4-6-10/h2-6,8-9,11H,7H2,1H3/t9-,11-/m0/s1.
What are the key properties of 5-[(1S,2S)-2-methylcyclopropyl]-2-phenyl-1,3-oxazole?
5-[(1S,2S)-2-methylcyclopropyl]-2-phenyl-1,3-oxazole has a molecular weight of 199.25 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2S)-2-methylcyclopropyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 130467178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).