N-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide

C15H14Cl2N2O2 — CID 1093826

IUPACN-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1cc(-c2ccc(Cl)cc2Cl)on1
InChIInChI=1S/C15H14Cl2N2O2/c16-9-5-6-11(12(17)7-9)14-8-13(19-21-14)15(20)18-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,18,20)
InChIKeyINGNTKMAQQRVRF-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.32
Rot. Bonds3

About N-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide

N-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 1093826) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.19 g/mol. Its IUPAC name is N-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID1093826
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC NameN-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1cc(-c2ccc(Cl)cc2Cl)on1
InChIInChI=1S/C15H14Cl2N2O2/c16-9-5-6-11(12(17)7-9)14-8-13(19-21-14)15(20)18-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,18,20)
InChIKeyINGNTKMAQQRVRF-UHFFFAOYSA-N
XLogP4.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide (CID 1093826) is N-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide is O=C(NC1CCCC1)c1cc(-c2ccc(Cl)cc2Cl)on1.
What is the InChIKey of N-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is INGNTKMAQQRVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-9-5-6-11(12(17)7-9)14-8-13(19-21-14)15(20)18-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,18,20).
What are the key properties of N-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide?
N-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 325.19 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1093826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).