4-(1,3-dioxolan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole

C12H13NO3 — CID 10998512

IUPAC4-(1,3-dioxolan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2=NC(C3OCCO3)CO2)cc1
InChIInChI=1S/C12H13NO3/c1-2-4-9(5-3-1)11-13-10(8-16-11)12-14-6-7-15-12/h1-5,10,12H,6-8H2
InChIKeySSEVIZNHMKJTGX-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.20
Rot. Bonds2

About 4-(1,3-dioxolan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole

4-(1,3-dioxolan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 10998512) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID10998512
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name4-(1,3-dioxolan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2=NC(C3OCCO3)CO2)cc1
InChIInChI=1S/C12H13NO3/c1-2-4-9(5-3-1)11-13-10(8-16-11)12-14-6-7-15-12/h1-5,10,12H,6-8H2
InChIKeySSEVIZNHMKJTGX-UHFFFAOYSA-N
XLogP1.20
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole (CID 10998512) is 4-(1,3-dioxolan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole is c1ccc(C2=NC(C3OCCO3)CO2)cc1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is SSEVIZNHMKJTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-4-9(5-3-1)11-13-10(8-16-11)12-14-6-7-15-12/h1-5,10,12H,6-8H2.
What are the key properties of 4-(1,3-dioxolan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole?
4-(1,3-dioxolan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 219.24 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10998512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).