N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide

C22H18N2O3 — CID 46392772

IUPACN-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide
SMILESCc1ccc(-c2coc(-c3ccc(NC(=O)c4ccco4)cc3)n2)c(C)c1
InChIInChI=1S/C22H18N2O3/c1-14-5-10-18(15(2)12-14)19-13-27-22(24-19)16-6-8-17(9-7-16)23-21(25)20-4-3-11-26-20/h3-13H,1-2H3,(H,23,25)
InChIKeyYQYKCSMPHBWIOU-UHFFFAOYSA-N
MW358.40 g/mol
LogP5.47
Rot. Bonds4

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

N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide (PubChem CID 46392772) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide
PubChem CID46392772
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide
SMILESCc1ccc(-c2coc(-c3ccc(NC(=O)c4ccco4)cc3)n2)c(C)c1
InChIInChI=1S/C22H18N2O3/c1-14-5-10-18(15(2)12-14)19-13-27-22(24-19)16-6-8-17(9-7-16)23-21(25)20-4-3-11-26-20/h3-13H,1-2H3,(H,23,25)
InChIKeyYQYKCSMPHBWIOU-UHFFFAOYSA-N
XLogP5.47
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea
CID 50835614
1-(3-acetylphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46392854
1-(3,4-dimethoxyphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46392853
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 921718
1-(1,3-benzodioxol-5-yl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46392869
N-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2,2-dimethylpropanamide
CID 46392788
N-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 53103254
4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 50835495
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-4-methoxybenzenesulfonamide
CID 20975136
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-[2-(4-fluoro-2-methylphenyl)-4-pyridinyl]furan-2-carboxamide
CID 166873662

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide (CID 46392772) is N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide is Cc1ccc(-c2coc(-c3ccc(NC(=O)c4ccco4)cc3)n2)c(C)c1.
What is the InChIKey of N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide?
The InChIKey is YQYKCSMPHBWIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-14-5-10-18(15(2)12-14)19-13-27-22(24-19)16-6-8-17(9-7-16)23-21(25)20-4-3-11-26-20/h3-13H,1-2H3,(H,23,25).
What are the key properties of N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide?
N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46392772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).