N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide

C25H25N3O2 — CID 19630862

IUPACN-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide
SMILESCCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(C)cc4)ccc3o2)cc1
InChIInChI=1S/C25H25N3O2/c1-4-28(5-2)21-13-10-19(11-14-21)25-27-22-16-20(12-15-23(22)30-25)26-24(29)18-8-6-17(3)7-9-18/h6-16H,4-5H2,1-3H3,(H,26,29)
InChIKeyVCOIUYNYIALIQM-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.90
Rot. Bonds6

About N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide

N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide (PubChem CID 19630862) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide
PubChem CID19630862
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide
SMILESCCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(C)cc4)ccc3o2)cc1
InChIInChI=1S/C25H25N3O2/c1-4-28(5-2)21-13-10-19(11-14-21)25-27-22-16-20(12-15-23(22)30-25)26-24(29)18-8-6-17(3)7-9-18/h6-16H,4-5H2,1-3H3,(H,26,29)
InChIKeyVCOIUYNYIALIQM-UHFFFAOYSA-N
XLogP5.90
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butoxy-N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]benzamide
CID 23095104
2-chloro-N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]benzamide
CID 22777282
N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]pentanamide
CID 21229547
3,5-dichloro-N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]benzamide;N-(trifluoromethyl)benzamide
CID 69292426
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2833240
N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]butanamide
CID 22775669
4-ethyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 29243131
2-chloro-N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-nitrobenzamide
CID 23095989
N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-4-phenylmethoxybenzamide
CID 21169614
3,4-dichloro-N-[4-[5-[(3,4-dichlorobenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]benzamide
CID 53356242
N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-2-fluorobenzamide
CID 23095673

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide?
The IUPAC name of N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide (CID 19630862) is N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide?
The canonical SMILES for N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide is CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(C)cc4)ccc3o2)cc1.
What is the InChIKey of N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide?
The InChIKey is VCOIUYNYIALIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-4-28(5-2)21-13-10-19(11-14-21)25-27-22-16-20(12-15-23(22)30-25)26-24(29)18-8-6-17(3)7-9-18/h6-16H,4-5H2,1-3H3,(H,26,29).
What are the key properties of N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide?
N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide has a molecular weight of 399.49 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide is sourced from PubChem (CID 19630862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).