N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]hexanamide

C21H24N2O2 — CID 3285271

IUPACN-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1
InChIInChI=1S/C21H24N2O2/c1-4-5-6-10-19(24)22-17-9-7-8-16(13-17)21-23-18-12-14(2)11-15(3)20(18)25-21/h7-9,11-13H,4-6,10H2,1-3H3,(H,22,24)
InChIKeyIECYJWJXWSMSHL-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.63
Rot. Bonds6

About N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]hexanamide

N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]hexanamide (PubChem CID 3285271) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]hexanamide
PubChem CID3285271
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1
InChIInChI=1S/C21H24N2O2/c1-4-5-6-10-19(24)22-17-9-7-8-16(13-17)21-23-18-12-14(2)11-15(3)20(18)25-21/h7-9,11-13H,4-6,10H2,1-3H3,(H,22,24)
InChIKeyIECYJWJXWSMSHL-UHFFFAOYSA-N
XLogP5.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]hexanamide 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

2-chloro-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 91683656
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]hexanamide
CID 7123546
2,2,2-trichloro-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 1338293
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 5229076
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-iodobenzamide
CID 3106200
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]hexanamide
CID 40600443
N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]pentanamide
CID 54857862
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
CID 3106201
N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 17103567
3,5-dibromo-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 17318724
2-chloro-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide
CID 3677894
N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]pentanamide
CID 23964998

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]hexanamide?
The IUPAC name of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]hexanamide (CID 3285271) is N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]hexanamide.
What is the SMILES notation for N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]hexanamide?
The canonical SMILES for N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]hexanamide is CCCCCC(=O)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1.
What is the InChIKey of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]hexanamide?
The InChIKey is IECYJWJXWSMSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-4-5-6-10-19(24)22-17-9-7-8-16(13-17)21-23-18-12-14(2)11-15(3)20(18)25-21/h7-9,11-13H,4-6,10H2,1-3H3,(H,22,24).
What are the key properties of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]hexanamide?
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]hexanamide has a molecular weight of 336.44 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]hexanamide is sourced from PubChem (CID 3285271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).