5-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine

C14H14Cl2N2O — CID 66199951

IUPAC5-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(C2CCCC2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O/c15-9-5-6-10(11(16)7-9)12-13(19-18-14(12)17)8-3-1-2-4-8/h5-8H,1-4H2,(H2,17,18)
InChIKeyPJYBZOVJMPSHOL-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.89
Rot. Bonds2

About 5-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine

5-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine (PubChem CID 66199951) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 5-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
PubChem CID66199951
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name5-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(C2CCCC2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O/c15-9-5-6-10(11(16)7-9)12-13(19-18-14(12)17)8-3-1-2-4-8/h5-8H,1-4H2,(H2,17,18)
InChIKeyPJYBZOVJMPSHOL-UHFFFAOYSA-N
XLogP4.89
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine (CID 66199951) is 5-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine is Nc1noc(C2CCCC2)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine?
The InChIKey is PJYBZOVJMPSHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c15-9-5-6-10(11(16)7-9)12-13(19-18-14(12)17)8-3-1-2-4-8/h5-8H,1-4H2,(H2,17,18).
What are the key properties of 5-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine?
5-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine has a molecular weight of 297.19 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).