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

C10H12ClN3O2 — CID 106689440

IUPAC2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(C)(N)c1noc(-c2ccoc2Cl)n1
InChIInChI=1S/C10H12ClN3O2/c1-3-10(2,12)9-13-8(16-14-9)6-4-5-15-7(6)11/h4-5H,3,12H2,1-2H3
InChIKeyMRDGYGNAHCKGOB-UHFFFAOYSA-N
MW241.68 g/mol
LogP2.57
Rot. Bonds3

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

2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine (PubChem CID 106689440) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine.

Molecular Properties

Compound Name2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
PubChem CID106689440
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(C)(N)c1noc(-c2ccoc2Cl)n1
InChIInChI=1S/C10H12ClN3O2/c1-3-10(2,12)9-13-8(16-14-9)6-4-5-15-7(6)11/h4-5H,3,12H2,1-2H3
InChIKeyMRDGYGNAHCKGOB-UHFFFAOYSA-N
XLogP2.57
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 106689501
2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 106689504
2-[5-(2-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 79205411
3-[5-(2-ethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 114103597
2-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61326714
2-[5-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61325265
2-[5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 113400116
2-[5-(4-bromo-3-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 81307819
2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61352493
2-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61324061
2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 104639525
5-[3-(2-aminobutan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136710763

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The IUPAC name of 2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine (CID 106689440) is 2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine.
What is the SMILES notation for 2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The canonical SMILES for 2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine is CCC(C)(N)c1noc(-c2ccoc2Cl)n1.
What is the InChIKey of 2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The InChIKey is MRDGYGNAHCKGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-3-10(2,12)9-13-8(16-14-9)6-4-5-15-7(6)11/h4-5H,3,12H2,1-2H3.
What are the key properties of 2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine has a molecular weight of 241.68 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine is sourced from PubChem (CID 106689440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).