4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-ethyl-2-methyl-N-(5-methylpyrimidin-2-yl)benzamide

C25H24Cl2N4O2 — CID 58182790

IUPAC4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-ethyl-2-methyl-N-(5-methylpyrimidin-2-yl)benzamide
SMILESCCN(C(=O)c1ccc(C2=NOC(C)(c3cc(Cl)cc(Cl)c3)C2)cc1C)c1ncc(C)cn1
InChIInChI=1S/C25H24Cl2N4O2/c1-5-31(24-28-13-15(2)14-29-24)23(32)21-7-6-17(8-16(21)3)22-12-25(4,33-30-22)18-9-19(26)11-20(27)10-18/h6-11,13-14H,5,12H2,1-4H3
InChIKeyNLVATNXVRJMOCR-UHFFFAOYSA-N
MW483.40 g/mol
LogP6.11
Rot. Bonds5

About 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-ethyl-2-methyl-N-(5-methylpyrimidin-2-yl)benzamide

4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-ethyl-2-methyl-N-(5-methylpyrimidin-2-yl)benzamide (PubChem CID 58182790) has the molecular formula C25H24Cl2N4O2 and a molecular weight of 483.40 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-ethyl-2-methyl-N-(5-methylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-ethyl-2-methyl-N-(5-methylpyrimidin-2-yl)benzamide
PubChem CID58182790
Molecular FormulaC25H24Cl2N4O2
Molecular Weight483.40 g/mol
Exact Mass482.13
IUPAC Name4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-ethyl-2-methyl-N-(5-methylpyrimidin-2-yl)benzamide
SMILESCCN(C(=O)c1ccc(C2=NOC(C)(c3cc(Cl)cc(Cl)c3)C2)cc1C)c1ncc(C)cn1
InChIInChI=1S/C25H24Cl2N4O2/c1-5-31(24-28-13-15(2)14-29-24)23(32)21-7-6-17(8-16(21)3)22-12-25(4,33-30-22)18-9-19(26)11-20(27)10-18/h6-11,13-14H,5,12H2,1-4H3
InChIKeyNLVATNXVRJMOCR-UHFFFAOYSA-N
XLogP6.11
TPSA67.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.40
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(ethylcarbamoyl)-2-methylbenzamide
CID 59363948
methyl 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 58338620
4-[(5S)-5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(ethylamino)-2-oxoethyl]-2-methylbenzamide
CID 58182787
4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;methane;methyl 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 158222560
4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(oxolan-2-yl)benzamide
CID 58182833
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5-ethynylpyrimidin-2-yl)-N-(methoxymethyl)-2-methylbenzamide
CID 162224392
4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methyl-N-(1-oxothietan-3-yl)benzamide
CID 123345182
[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]methanamine
CID 59407423
4-[2-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]-2-oxoethyl]-1-(2,2,2-trifluoroethyl)piperazine-2,6-dione
CID 118052654
4-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-(2,2,2-trifluoroethyl)benzoic acid
CID 118052673
1-[4-[5-(4-bromo-3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]-2-(3-methylthietan-3-yl)ethanone
CID 147542460
1-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanyl-5,5,5-trifluoropentan-2-one
CID 147310125

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-ethyl-2-methyl-N-(5-methylpyrimidin-2-yl)benzamide?
The IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-ethyl-2-methyl-N-(5-methylpyrimidin-2-yl)benzamide (CID 58182790) is 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-ethyl-2-methyl-N-(5-methylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-ethyl-2-methyl-N-(5-methylpyrimidin-2-yl)benzamide?
The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-ethyl-2-methyl-N-(5-methylpyrimidin-2-yl)benzamide is CCN(C(=O)c1ccc(C2=NOC(C)(c3cc(Cl)cc(Cl)c3)C2)cc1C)c1ncc(C)cn1.
What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-ethyl-2-methyl-N-(5-methylpyrimidin-2-yl)benzamide?
The InChIKey is NLVATNXVRJMOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O2/c1-5-31(24-28-13-15(2)14-29-24)23(32)21-7-6-17(8-16(21)3)22-12-25(4,33-30-22)18-9-19(26)11-20(27)10-18/h6-11,13-14H,5,12H2,1-4H3.
What are the key properties of 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-ethyl-2-methyl-N-(5-methylpyrimidin-2-yl)benzamide?
4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-ethyl-2-methyl-N-(5-methylpyrimidin-2-yl)benzamide has a molecular weight of 483.40 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-ethyl-2-methyl-N-(5-methylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 58182790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).