N-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2,2-dimethylpropanamide

C22H24N2O2 — CID 46392788

IUPACN-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(C)c(-c2coc(-c3ccc(NC(=O)C(C)(C)C)cc3)n2)c1
InChIInChI=1S/C22H24N2O2/c1-14-6-7-15(2)18(12-14)19-13-26-20(24-19)16-8-10-17(11-9-16)23-21(25)22(3,4)5/h6-13H,1-5H3,(H,23,25)
InChIKeyISVIPMMOWHPDHS-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.61
Rot. Bonds3

About N-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2,2-dimethylpropanamide

N-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 46392788) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2,2-dimethylpropanamide
PubChem CID46392788
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(C)c(-c2coc(-c3ccc(NC(=O)C(C)(C)C)cc3)n2)c1
InChIInChI=1S/C22H24N2O2/c1-14-6-7-15(2)18(12-14)19-13-26-20(24-19)16-8-10-17(11-9-16)23-21(25)22(3,4)5/h6-13H,1-5H3,(H,23,25)
InChIKeyISVIPMMOWHPDHS-UHFFFAOYSA-N
XLogP5.61
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 46392912
1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea
CID 50835614
N-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2-(2-methylphenoxy)acetamide
CID 46392793
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 50747877
N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide
CID 46392772
1-(3,4-dimethoxyphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46392853
1-(3-acetylphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46392854
1-(1,3-benzodioxol-5-yl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46392869
1-(4-fluorophenyl)-3-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 50835548
N-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
CID 2835770
4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 50835495
2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide
CID 114327857

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2,2-dimethylpropanamide (CID 46392788) is N-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2,2-dimethylpropanamide is Cc1ccc(C)c(-c2coc(-c3ccc(NC(=O)C(C)(C)C)cc3)n2)c1.
What is the InChIKey of N-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is ISVIPMMOWHPDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-14-6-7-15(2)18(12-14)19-13-26-20(24-19)16-8-10-17(11-9-16)23-21(25)22(3,4)5/h6-13H,1-5H3,(H,23,25).
What are the key properties of N-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2,2-dimethylpropanamide?
N-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 348.45 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 46392788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).