N-[[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine

C12H15ClN2O2 — CID 106690336

IUPACN-[[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ncc(-c2ccc(Cl)o2)o1
InChIInChI=1S/C12H15ClN2O2/c1-12(2,3)15-7-11-14-6-9(17-11)8-4-5-10(13)16-8/h4-6,15H,7H2,1-3H3
InChIKeyWLNUXFGSJQVHEY-UHFFFAOYSA-N
MW254.72 g/mol
LogP3.48
Rot. Bonds3

About N-[[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 106690336) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-[[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID106690336
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-[[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ncc(-c2ccc(Cl)o2)o1
InChIInChI=1S/C12H15ClN2O2/c1-12(2,3)15-7-11-14-6-9(17-11)8-4-5-10(13)16-8/h4-6,15H,7H2,1-3H3
InChIKeyWLNUXFGSJQVHEY-UHFFFAOYSA-N
XLogP3.48
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 79084139
2-[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 106690346
2-methyl-N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 79755992
2-[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 106690356
2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184322
N-[[5-(4-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65184324
N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65184219
N-[[5-(3-iodophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65183731
2-methyl-N-[[5-(2-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 114031453
N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
CID 65185034
2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 79807749
1-[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 106690342

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine (CID 106690336) is N-[[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ncc(-c2ccc(Cl)o2)o1.
What is the InChIKey of N-[[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is WLNUXFGSJQVHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-12(2,3)15-7-11-14-6-9(17-11)8-4-5-10(13)16-8/h4-6,15H,7H2,1-3H3.
What are the key properties of N-[[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 254.72 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 106690336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).