2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine

C10H12ClN3O3 — CID 106689501

IUPAC2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
SMILESCOCC(C)(N)c1noc(-c2ccoc2Cl)n1
InChIInChI=1S/C10H12ClN3O3/c1-10(12,5-15-2)9-13-8(17-14-9)6-3-4-16-7(6)11/h3-4H,5,12H2,1-2H3
InChIKeyPKPCBOFJAHTRMO-UHFFFAOYSA-N
MW257.68 g/mol
LogP1.80
Rot. Bonds4

About 2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine

2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine (PubChem CID 106689501) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is 2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine.

Molecular Properties

Compound Name2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
PubChem CID106689501
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
SMILESCOCC(C)(N)c1noc(-c2ccoc2Cl)n1
InChIInChI=1S/C10H12ClN3O3/c1-10(12,5-15-2)9-13-8(17-14-9)6-3-4-16-7(6)11/h3-4H,5,12H2,1-2H3
InChIKeyPKPCBOFJAHTRMO-UHFFFAOYSA-N
XLogP1.80
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 106689504
2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 106689440
1-methoxy-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636304
2-[5-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636415
1-methoxy-2-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 105064395
2-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636559
1-methoxy-2-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 113435625
2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636594
1-methoxy-2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636499
2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636453
2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636361
2-[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636331

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine?
The IUPAC name of 2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine (CID 106689501) is 2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine.
What is the SMILES notation for 2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine?
The canonical SMILES for 2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine is COCC(C)(N)c1noc(-c2ccoc2Cl)n1.
What is the InChIKey of 2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine?
The InChIKey is PKPCBOFJAHTRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c1-10(12,5-15-2)9-13-8(17-14-9)6-3-4-16-7(6)11/h3-4H,5,12H2,1-2H3.
What are the key properties of 2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine?
2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine has a molecular weight of 257.68 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine is sourced from PubChem (CID 106689501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).