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

C14H17NO3 — CID 24972196

IUPAC2-[2-[2-(1,3-dioxolan-2-yl)ethyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2=NCCO2)c(CCC2OCCO2)c1
InChIInChI=1S/C14H17NO3/c1-2-4-12(14-15-7-8-18-14)11(3-1)5-6-13-16-9-10-17-13/h1-4,13H,5-10H2
InChIKeyNTFPMTDFZQUXRE-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.77
Rot. Bonds4

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

2-[2-[2-(1,3-dioxolan-2-yl)ethyl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 24972196) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[2-[2-(1,3-dioxolan-2-yl)ethyl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[2-(1,3-dioxolan-2-yl)ethyl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID24972196
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[2-[2-(1,3-dioxolan-2-yl)ethyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2=NCCO2)c(CCC2OCCO2)c1
InChIInChI=1S/C14H17NO3/c1-2-4-12(14-15-7-8-18-14)11(3-1)5-6-13-16-9-10-17-13/h1-4,13H,5-10H2
InChIKeyNTFPMTDFZQUXRE-UHFFFAOYSA-N
XLogP1.77
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1,3-dioxolan-2-yl)ethyl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[2-[2-(1,3-dioxolan-2-yl)ethyl]phenyl]-4,5-dihydro-1,3-oxazole (CID 24972196) is 2-[2-[2-(1,3-dioxolan-2-yl)ethyl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[2-[2-(1,3-dioxolan-2-yl)ethyl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[2-[2-(1,3-dioxolan-2-yl)ethyl]phenyl]-4,5-dihydro-1,3-oxazole is c1ccc(C2=NCCO2)c(CCC2OCCO2)c1.
What is the InChIKey of 2-[2-[2-(1,3-dioxolan-2-yl)ethyl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is NTFPMTDFZQUXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-4-12(14-15-7-8-18-14)11(3-1)5-6-13-16-9-10-17-13/h1-4,13H,5-10H2.
What are the key properties of 2-[2-[2-(1,3-dioxolan-2-yl)ethyl]phenyl]-4,5-dihydro-1,3-oxazole?
2-[2-[2-(1,3-dioxolan-2-yl)ethyl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 247.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1,3-dioxolan-2-yl)ethyl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 24972196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).