5-cyclopropyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide

C16H16Cl2N2O2 — CID 37493820

IUPAC5-cyclopropyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESC[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C16H16Cl2N2O2/c1-9(12-6-5-11(17)7-13(12)18)20(2)16(21)14-8-15(22-19-14)10-3-4-10/h5-10H,3-4H2,1-2H3/t9-/m0/s1
InChIKeySHOAYVMXWVJLTO-VIFPVBQESA-N
MW339.22 g/mol
LogP4.69
Rot. Bonds4

About 5-cyclopropyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 37493820) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID37493820
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name5-cyclopropyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESC[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C16H16Cl2N2O2/c1-9(12-6-5-11(17)7-13(12)18)20(2)16(21)14-8-15(22-19-14)10-3-4-10/h5-10H,3-4H2,1-2H3/t9-/m0/s1
InChIKeySHOAYVMXWVJLTO-VIFPVBQESA-N
XLogP4.69
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide (CID 37493820) is 5-cyclopropyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide is C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is SHOAYVMXWVJLTO-VIFPVBQESA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-9(12-6-5-11(17)7-13(12)18)20(2)16(21)14-8-15(22-19-14)10-3-4-10/h5-10H,3-4H2,1-2H3/t9-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 339.22 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 37493820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).