3-(5-chlorofuran-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine

C11H15ClN2O3 — CID 141063510

IUPAC3-(5-chlorofuran-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine
SMILESCOCC(C)N1OC(N)=CC1c1ccc(Cl)o1
InChIInChI=1S/C11H15ClN2O3/c1-7(6-15-2)14-8(5-11(13)17-14)9-3-4-10(12)16-9/h3-5,7-8H,6,13H2,1-2H3
InChIKeyPNBSSUMGZLPOHR-UHFFFAOYSA-N
MW258.70 g/mol
LogP2.06
Rot. Bonds4

About 3-(5-chlorofuran-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine

3-(5-chlorofuran-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063510) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 3-(5-chlorofuran-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-chlorofuran-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063510
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name3-(5-chlorofuran-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine
SMILESCOCC(C)N1OC(N)=CC1c1ccc(Cl)o1
InChIInChI=1S/C11H15ClN2O3/c1-7(6-15-2)14-8(5-11(13)17-14)9-3-4-10(12)16-9/h3-5,7-8H,6,13H2,1-2H3
InChIKeyPNBSSUMGZLPOHR-UHFFFAOYSA-N
XLogP2.06
TPSA60.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-chlorofuran-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-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 3-(5-chlorofuran-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-chlorofuran-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine (CID 141063510) is 3-(5-chlorofuran-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-chlorofuran-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-chlorofuran-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine is COCC(C)N1OC(N)=CC1c1ccc(Cl)o1.
What is the InChIKey of 3-(5-chlorofuran-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is PNBSSUMGZLPOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-7(6-15-2)14-8(5-11(13)17-14)9-3-4-10(12)16-9/h3-5,7-8H,6,13H2,1-2H3.
What are the key properties of 3-(5-chlorofuran-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine?
3-(5-chlorofuran-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 258.70 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorofuran-2-yl)-2-(1-methoxypropan-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).