5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine

C11H11ClN2O — CID 66199430

IUPAC5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1-c1cccc(Cl)c1
InChIInChI=1S/C11H11ClN2O/c1-2-9-10(15-14-11(9)13)7-4-3-5-8(12)6-7/h3-6H,2H2,1H3,(H2,13,14)
InChIKeyGUQMOJZPVWTZQP-UHFFFAOYSA-N
MW222.68 g/mol
LogP3.14
Rot. Bonds2

About 5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine

5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine (PubChem CID 66199430) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine
PubChem CID66199430
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1-c1cccc(Cl)c1
InChIInChI=1S/C11H11ClN2O/c1-2-9-10(15-14-11(9)13)7-4-3-5-8(12)6-7/h3-6H,2H2,1H3,(H2,13,14)
InChIKeyGUQMOJZPVWTZQP-UHFFFAOYSA-N
XLogP3.14
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine (CID 66199430) is 5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine is CCc1c(N)noc1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine?
The InChIKey is GUQMOJZPVWTZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-2-9-10(15-14-11(9)13)7-4-3-5-8(12)6-7/h3-6H,2H2,1H3,(H2,13,14).
What are the key properties of 5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine?
5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine has a molecular weight of 222.68 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66199430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).