4-[(5S)-5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-2-methylbenzamide

C22H23Cl2N3O3 — CID 58182787

IUPAC4-[(5S)-5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-2-methylbenzamide
SMILESCCNC(=O)CNC(=O)c1ccc(C2=NO[C@](C)(c3cc(Cl)cc(Cl)c3)C2)cc1C
InChIInChI=1S/C22H23Cl2N3O3/c1-4-25-20(28)12-26-21(29)18-6-5-14(7-13(18)2)19-11-22(3,30-27-19)15-8-16(23)10-17(24)9-15/h5-10H,4,11-12H2,1-3H3,(H,25,28)(H,26,29)/t22-/m0/s1
InChIKeyZLULLOGCCABLOI-QFIPXVFZSA-N
MW448.35 g/mol
LogP4.21
Rot. Bonds6

About 4-[(5S)-5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-2-methylbenzamide

4-[(5S)-5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-2-methylbenzamide (PubChem CID 58182787) has the molecular formula C22H23Cl2N3O3 and a molecular weight of 448.35 g/mol. Its IUPAC name is 4-[(5S)-5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-[(5S)-5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-2-methylbenzamide
PubChem CID58182787
Molecular FormulaC22H23Cl2N3O3
Molecular Weight448.35 g/mol
Exact Mass447.11
IUPAC Name4-[(5S)-5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-2-methylbenzamide
SMILESCCNC(=O)CNC(=O)c1ccc(C2=NO[C@](C)(c3cc(Cl)cc(Cl)c3)C2)cc1C
InChIInChI=1S/C22H23Cl2N3O3/c1-4-25-20(28)12-26-21(29)18-6-5-14(7-13(18)2)19-11-22(3,30-27-19)15-8-16(23)10-17(24)9-15/h5-10H,4,11-12H2,1-3H3,(H,25,28)(H,26,29)/t22-/m0/s1
InChIKeyZLULLOGCCABLOI-QFIPXVFZSA-N
XLogP4.21
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of 4-[(5S)-5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-2-methylbenzamide (CID 58182787) is 4-[(5S)-5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for 4-[(5S)-5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for 4-[(5S)-5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-2-methylbenzamide is CCNC(=O)CNC(=O)c1ccc(C2=NO[C@](C)(c3cc(Cl)cc(Cl)c3)C2)cc1C.
What is the InChIKey of 4-[(5S)-5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-2-methylbenzamide?
The InChIKey is ZLULLOGCCABLOI-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23Cl2N3O3/c1-4-25-20(28)12-26-21(29)18-6-5-14(7-13(18)2)19-11-22(3,30-27-19)15-8-16(23)10-17(24)9-15/h5-10H,4,11-12H2,1-3H3,(H,25,28)(H,26,29)/t22-/m0/s1.
What are the key properties of 4-[(5S)-5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-2-methylbenzamide?
4-[(5S)-5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-2-methylbenzamide has a molecular weight of 448.35 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 58182787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).