5-(5-chlorofuran-2-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine

C16H15ClN2O2 — CID 106690678

IUPAC5-(5-chlorofuran-2-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
SMILESCC(C)c1ccc(-c2c(N)noc2-c2ccc(Cl)o2)cc1
InChIInChI=1S/C16H15ClN2O2/c1-9(2)10-3-5-11(6-4-10)14-15(21-19-16(14)18)12-7-8-13(17)20-12/h3-9H,1-2H3,(H2,18,19)
InChIKeyKQXJUURUEVBBIZ-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.96
Rot. Bonds3

About 5-(5-chlorofuran-2-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine

5-(5-chlorofuran-2-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine (PubChem CID 106690678) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 5-(5-chlorofuran-2-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-chlorofuran-2-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
PubChem CID106690678
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name5-(5-chlorofuran-2-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
SMILESCC(C)c1ccc(-c2c(N)noc2-c2ccc(Cl)o2)cc1
InChIInChI=1S/C16H15ClN2O2/c1-9(2)10-3-5-11(6-4-10)14-15(21-19-16(14)18)12-7-8-13(17)20-12/h3-9H,1-2H3,(H2,18,19)
InChIKeyKQXJUURUEVBBIZ-UHFFFAOYSA-N
XLogP4.96
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorofuran-2-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-chlorofuran-2-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine (CID 106690678) is 5-(5-chlorofuran-2-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-chlorofuran-2-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-chlorofuran-2-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine is CC(C)c1ccc(-c2c(N)noc2-c2ccc(Cl)o2)cc1.
What is the InChIKey of 5-(5-chlorofuran-2-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine?
The InChIKey is KQXJUURUEVBBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-9(2)10-3-5-11(6-4-10)14-15(21-19-16(14)18)12-7-8-13(17)20-12/h3-9H,1-2H3,(H2,18,19).
What are the key properties of 5-(5-chlorofuran-2-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine?
5-(5-chlorofuran-2-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine has a molecular weight of 302.76 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorofuran-2-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 106690678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).