N-(2,2-dimethylpropyl)-3-[5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide

C28H33FN4O3 — CID 69032599

IUPACN-(2,2-dimethylpropyl)-3-[5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(F)cc(N3CCCCC3)c2)cc1-c1cc(C(=O)NCC(C)(C)C)on1
InChIInChI=1S/C28H33FN4O3/c1-18-8-9-21(15-23(18)24-16-25(36-32-24)27(35)30-17-28(2,3)4)31-26(34)19-12-20(29)14-22(13-19)33-10-6-5-7-11-33/h8-9,12-16H,5-7,10-11,17H2,1-4H3,(H,30,35)(H,31,34)
InChIKeyVKFLBLTWINECPX-UHFFFAOYSA-N
MW492.60 g/mol
LogP5.81
Rot. Bonds6

About N-(2,2-dimethylpropyl)-3-[5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide

N-(2,2-dimethylpropyl)-3-[5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide (PubChem CID 69032599) has the molecular formula C28H33FN4O3 and a molecular weight of 492.60 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-[5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-[5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide
PubChem CID69032599
Molecular FormulaC28H33FN4O3
Molecular Weight492.60 g/mol
Exact Mass492.25
IUPAC NameN-(2,2-dimethylpropyl)-3-[5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(F)cc(N3CCCCC3)c2)cc1-c1cc(C(=O)NCC(C)(C)C)on1
InChIInChI=1S/C28H33FN4O3/c1-18-8-9-21(15-23(18)24-16-25(36-32-24)27(35)30-17-28(2,3)4)31-26(34)19-12-20(29)14-22(13-19)33-10-6-5-7-11-33/h8-9,12-16H,5-7,10-11,17H2,1-4H3,(H,30,35)(H,31,34)
InChIKeyVKFLBLTWINECPX-UHFFFAOYSA-N
XLogP5.81
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.60
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
methyl 3-tert-butyl-5-[[3-[5-(2,2-dimethylpropylcarbamoyl)-1,2-oxazol-3-yl]-4-methylphenyl]carbamoyl]benzoate
CID 69032612
N-(2,2-dimethylpropyl)-3-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide
CID 69031645
3-[5-[(3-cyano-5-pyrrolidin-1-ylbenzoyl)amino]-2-methylphenyl]-N-cyclohexyl-1,2-oxazole-5-carboxamide
CID 25062531
N-(2,2-dimethylpropyl)-3-[5-[[3-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide
CID 69033528
3-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-[(4Z,6Z)-octa-2,4,6-trienyl]-1,2-oxazole-5-carboxamide
CID 143497671
N-[3-(5-acetyl-1,2-oxazol-3-yl)-4-methylphenyl]-3-tert-butyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 143497683
3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide
CID 91479903
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667
N-(3-formamido-4-methylphenyl)-3-pyrrolidin-1-yl-5-(trifluoromethyl)benzamide
CID 130182759

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-[5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-[5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide (CID 69032599) is N-(2,2-dimethylpropyl)-3-[5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-[5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-[5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(F)cc(N3CCCCC3)c2)cc1-c1cc(C(=O)NCC(C)(C)C)on1.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-[5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is VKFLBLTWINECPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN4O3/c1-18-8-9-21(15-23(18)24-16-25(36-32-24)27(35)30-17-28(2,3)4)31-26(34)19-12-20(29)14-22(13-19)33-10-6-5-7-11-33/h8-9,12-16H,5-7,10-11,17H2,1-4H3,(H,30,35)(H,31,34).
What are the key properties of N-(2,2-dimethylpropyl)-3-[5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide?
N-(2,2-dimethylpropyl)-3-[5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 492.60 g/mol, XLogP of 5.81, 6 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-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 69032599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).