5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-1,2-oxazol-3-amine

C14H16N2O3 — CID 117404745

IUPAC5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-1,2-oxazol-3-amine
SMILESCC1(C)OCC(c2ccc(-c3cc(N)no3)cc2)O1
InChIInChI=1S/C14H16N2O3/c1-14(2)17-8-12(18-14)10-5-3-9(4-6-10)11-7-13(15)16-19-11/h3-7,12H,8H2,1-2H3,(H2,15,16)
InChIKeyOLPRVGYXZOGBTN-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.75
Rot. Bonds2

About 5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-1,2-oxazol-3-amine

5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-1,2-oxazol-3-amine (PubChem CID 117404745) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-1,2-oxazol-3-amine
PubChem CID117404745
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-1,2-oxazol-3-amine
SMILESCC1(C)OCC(c2ccc(-c3cc(N)no3)cc2)O1
InChIInChI=1S/C14H16N2O3/c1-14(2)17-8-12(18-14)10-5-3-9(4-6-10)11-7-13(15)16-19-11/h3-7,12H,8H2,1-2H3,(H2,15,16)
InChIKeyOLPRVGYXZOGBTN-UHFFFAOYSA-N
XLogP2.75
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-1,2-oxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-1,2-oxazol-3-amine (CID 117404745) is 5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-1,2-oxazol-3-amine is CC1(C)OCC(c2ccc(-c3cc(N)no3)cc2)O1.
What is the InChIKey of 5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-1,2-oxazol-3-amine?
The InChIKey is OLPRVGYXZOGBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-14(2)17-8-12(18-14)10-5-3-9(4-6-10)11-7-13(15)16-19-11/h3-7,12H,8H2,1-2H3,(H2,15,16).
What are the key properties of 5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-1,2-oxazol-3-amine?
5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-1,2-oxazol-3-amine has a molecular weight of 260.29 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117404745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).