N-[2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine

C12H16ClN3O2 — CID 106689625

IUPACN-[2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1nnc(-c2ccoc2Cl)o1
InChIInChI=1S/C12H16ClN3O2/c1-12(2,3)14-6-4-9-15-16-11(18-9)8-5-7-17-10(8)13/h5,7,14H,4,6H2,1-3H3
InChIKeyLVDWNUMIEWFKGC-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.91
Rot. Bonds4

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

N-[2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 106689625) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-[2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
PubChem CID106689625
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC NameN-[2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1nnc(-c2ccoc2Cl)o1
InChIInChI=1S/C12H16ClN3O2/c1-12(2,3)14-6-4-9-15-16-11(18-9)8-5-7-17-10(8)13/h5,7,14H,4,6H2,1-3H3
InChIKeyLVDWNUMIEWFKGC-UHFFFAOYSA-N
XLogP2.91
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 106689618
N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 62162780
N-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 62162492
N-[2-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 62163649
N-[2-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 105064451
2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
CID 55043837
2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
CID 62162598
2-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
CID 62163830
N-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 107965637
N-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62138338
N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 114021767
2-(2-chlorofuran-3-yl)-5-iodo-1,3,4-oxadiazole
CID 106690827

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine (CID 106689625) is N-[2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCc1nnc(-c2ccoc2Cl)o1.
What is the InChIKey of N-[2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine?
The InChIKey is LVDWNUMIEWFKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-12(2,3)14-6-4-9-15-16-11(18-9)8-5-7-17-10(8)13/h5,7,14H,4,6H2,1-3H3.
What are the key properties of N-[2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine?
N-[2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine has a molecular weight of 269.73 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 106689625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).