N-(2,2-dimethylpropyl)-3-[5-[[3-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide

C27H33N3O4 — CID 69033528

IUPACN-(2,2-dimethylpropyl)-3-[5-[[3-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide
SMILESCOC(C)(C)c1cccc(C(=O)Nc2ccc(C)c(-c3cc(C(=O)NCC(C)(C)C)on3)c2)c1
InChIInChI=1S/C27H33N3O4/c1-17-11-12-20(29-24(31)18-9-8-10-19(13-18)27(5,6)33-7)14-21(17)22-15-23(34-30-22)25(32)28-16-26(2,3)4/h8-15H,16H2,1-7H3,(H,28,32)(H,29,31)
InChIKeyRNDFNKQVGOFJOV-UHFFFAOYSA-N
MW463.58 g/mol
LogP5.56
Rot. Bonds7

About N-(2,2-dimethylpropyl)-3-[5-[[3-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide

N-(2,2-dimethylpropyl)-3-[5-[[3-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide (PubChem CID 69033528) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-[5-[[3-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-[5-[[3-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide
PubChem CID69033528
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC NameN-(2,2-dimethylpropyl)-3-[5-[[3-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide
SMILESCOC(C)(C)c1cccc(C(=O)Nc2ccc(C)c(-c3cc(C(=O)NCC(C)(C)C)on3)c2)c1
InChIInChI=1S/C27H33N3O4/c1-17-11-12-20(29-24(31)18-9-8-10-19(13-18)27(5,6)33-7)14-21(17)22-15-23(34-30-22)25(32)28-16-26(2,3)4/h8-15H,16H2,1-7H3,(H,28,32)(H,29,31)
InChIKeyRNDFNKQVGOFJOV-UHFFFAOYSA-N
XLogP5.56
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylpropyl)-3-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide
CID 69031645
methyl 3-tert-butyl-5-[[3-[5-(2,2-dimethylpropylcarbamoyl)-1,2-oxazol-3-yl]-4-methylphenyl]carbamoyl]benzoate
CID 69032612
3-[5-[[3-(1,1-difluoroethyl)-5-(4-methylpiperazin-1-yl)benzoyl]amino]-2-methylphenyl]-N-(2,2-dimethylpropyl)-1,2-oxazole-5-carboxamide
CID 148970635
N-(2,2-dimethylpropyl)-3-[5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide
CID 69032599
N-(2,2-dimethylpropyl)-3-[5-[(3-fluoro-5-thiomorpholin-4-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide
CID 69088428
3-[5-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorobenzoyl]amino]-2-methylphenyl]-N-(2,2-dimethylpropyl)-1,2-oxazole-5-carboxamide
CID 69035045
N-[3-(5-acetyl-1,2-oxazol-3-yl)-4-methylphenyl]-3-tert-butyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 143497683
methyl 2-[[3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]benzoyl]amino]acetate
CID 55848995
3-[5-[(5-tert-butyl-3-cyano-2-methoxybenzoyl)amino]-2-methylphenyl]-N-[(1-methylpiperidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 69034244
3-[5-[(5-tert-butyl-3-cyano-2-methoxybenzoyl)amino]-2-methylphenyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 69036743
N-[3-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 138714306
N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
CID 24880973

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-[5-[[3-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-[5-[[3-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide (CID 69033528) is N-(2,2-dimethylpropyl)-3-[5-[[3-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-[5-[[3-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-[5-[[3-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide is COC(C)(C)c1cccc(C(=O)Nc2ccc(C)c(-c3cc(C(=O)NCC(C)(C)C)on3)c2)c1.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-[5-[[3-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is RNDFNKQVGOFJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-17-11-12-20(29-24(31)18-9-8-10-19(13-18)27(5,6)33-7)14-21(17)22-15-23(34-30-22)25(32)28-16-26(2,3)4/h8-15H,16H2,1-7H3,(H,28,32)(H,29,31).
What are the key properties of N-(2,2-dimethylpropyl)-3-[5-[[3-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide?
N-(2,2-dimethylpropyl)-3-[5-[[3-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 5.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-[5-[[3-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 69033528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).