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

C11H13ClN2O2 — CID 115910595

IUPACN-[(5-chlorofuran-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine
SMILESCC(C)c1cc(NCc2ccc(Cl)o2)no1
InChIInChI=1S/C11H13ClN2O2/c1-7(2)9-5-11(14-16-9)13-6-8-3-4-10(12)15-8/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyWERUQMCENHELTG-UHFFFAOYSA-N
MW240.69 g/mol
LogP3.66
Rot. Bonds4

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

N-[(5-chlorofuran-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine (PubChem CID 115910595) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine
PubChem CID115910595
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine
SMILESCC(C)c1cc(NCc2ccc(Cl)o2)no1
InChIInChI=1S/C11H13ClN2O2/c1-7(2)9-5-11(14-16-9)13-6-8-3-4-10(12)15-8/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyWERUQMCENHELTG-UHFFFAOYSA-N
XLogP3.66
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine (CID 115910595) is N-[(5-chlorofuran-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine is CC(C)c1cc(NCc2ccc(Cl)o2)no1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine?
The InChIKey is WERUQMCENHELTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-7(2)9-5-11(14-16-9)13-6-8-3-4-10(12)15-8/h3-5,7H,6H2,1-2H3,(H,13,14).
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine?
N-[(5-chlorofuran-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine has a molecular weight of 240.69 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 115910595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).