3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide

C23H26N4O3 — CID 60555563

IUPAC3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)Nc3ccccc3NC(=O)NC(C)C)o2)cc1
InChIInChI=1S/C23H26N4O3/c1-15(2)25-23(29)27-19-7-5-4-6-18(19)26-21(28)12-13-22-24-14-20(30-22)17-10-8-16(3)9-11-17/h4-11,14-15H,12-13H2,1-3H3,(H,26,28)(H2,25,27,29)
InChIKeyPLZIRBAGVMLEEW-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.75
Rot. Bonds7

About 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide (PubChem CID 60555563) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
PubChem CID60555563
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)Nc3ccccc3NC(=O)NC(C)C)o2)cc1
InChIInChI=1S/C23H26N4O3/c1-15(2)25-23(29)27-19-7-5-4-6-18(19)26-21(28)12-13-22-24-14-20(30-22)17-10-8-16(3)9-11-17/h4-11,14-15H,12-13H2,1-3H3,(H,26,28)(H2,25,27,29)
InChIKeyPLZIRBAGVMLEEW-UHFFFAOYSA-N
XLogP4.75
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55912574
N-[2-(2-ethylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41331644
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
N-(1-hydroxypropan-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 78856641
N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51309889
N-[(4-methylphenyl)-phenylmethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16599378
(2S)-N-ethyl-2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]propanamide
CID 51645784
N-(2-cyanophenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784752
N-(2-ethyl-6-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356632
N-[(1S)-1-(furan-2-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 51908866
N-(5-fluoro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356754
N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide (CID 60555563) is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide is Cc1ccc(-c2cnc(CCC(=O)Nc3ccccc3NC(=O)NC(C)C)o2)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The InChIKey is PLZIRBAGVMLEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15(2)25-23(29)27-19-7-5-4-6-18(19)26-21(28)12-13-22-24-14-20(30-22)17-10-8-16(3)9-11-17/h4-11,14-15H,12-13H2,1-3H3,(H,26,28)(H2,25,27,29).
What are the key properties of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide?
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide has a molecular weight of 406.49 g/mol, XLogP of 4.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 60555563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).