1-(5-chlorofuran-2-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylmethanamine

C13H15ClN2O2 — CID 77090495

IUPAC1-(5-chlorofuran-2-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1cc(C2CC2)on1)Cc1ccc(Cl)o1
InChIInChI=1S/C13H15ClN2O2/c1-16(8-11-4-5-13(14)17-11)7-10-6-12(18-15-10)9-2-3-9/h4-6,9H,2-3,7-8H2,1H3
InChIKeyPWZJGPLUQDZIQT-UHFFFAOYSA-N
MW266.73 g/mol
LogP3.43
Rot. Bonds5

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

1-(5-chlorofuran-2-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylmethanamine (PubChem CID 77090495) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylmethanamine
PubChem CID77090495
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-(5-chlorofuran-2-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1cc(C2CC2)on1)Cc1ccc(Cl)o1
InChIInChI=1S/C13H15ClN2O2/c1-16(8-11-4-5-13(14)17-11)7-10-6-12(18-15-10)9-2-3-9/h4-6,9H,2-3,7-8H2,1H3
InChIKeyPWZJGPLUQDZIQT-UHFFFAOYSA-N
XLogP3.43
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylmethanamine (CID 77090495) is 1-(5-chlorofuran-2-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylmethanamine is CN(Cc1cc(C2CC2)on1)Cc1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylmethanamine?
The InChIKey is PWZJGPLUQDZIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-16(8-11-4-5-13(14)17-11)7-10-6-12(18-15-10)9-2-3-9/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylmethanamine?
1-(5-chlorofuran-2-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylmethanamine has a molecular weight of 266.73 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 77090495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).