N-[3-(2-ethyl-1,3-benzoxazol-7-yl)propyl]propanamide

C15H20N2O2 — CID 10015475

IUPACN-[3-(2-ethyl-1,3-benzoxazol-7-yl)propyl]propanamide
SMILESCCC(=O)NCCCc1cccc2nc(CC)oc12
InChIInChI=1S/C15H20N2O2/c1-3-13(18)16-10-6-8-11-7-5-9-12-15(11)19-14(4-2)17-12/h5,7,9H,3-4,6,8,10H2,1-2H3,(H,16,18)
InChIKeyFIVRROVPWAEVLA-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.85
Rot. Bonds6

About N-[3-(2-ethyl-1,3-benzoxazol-7-yl)propyl]propanamide

N-[3-(2-ethyl-1,3-benzoxazol-7-yl)propyl]propanamide (PubChem CID 10015475) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[3-(2-ethyl-1,3-benzoxazol-7-yl)propyl]propanamide.

Molecular Properties

Compound NameN-[3-(2-ethyl-1,3-benzoxazol-7-yl)propyl]propanamide
PubChem CID10015475
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[3-(2-ethyl-1,3-benzoxazol-7-yl)propyl]propanamide
SMILESCCC(=O)NCCCc1cccc2nc(CC)oc12
InChIInChI=1S/C15H20N2O2/c1-3-13(18)16-10-6-8-11-7-5-9-12-15(11)19-14(4-2)17-12/h5,7,9H,3-4,6,8,10H2,1-2H3,(H,16,18)
InChIKeyFIVRROVPWAEVLA-UHFFFAOYSA-N
XLogP2.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(2-ethyl-1,3-benzoxazol-7-yl)propyl]propanamide 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

Benzoxazole, 2-methyl-5-phenyl-
CID 112786
BI 99179
CID 51346964
Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
L 697639
CID 60832
L 696229
CID 72352
Benzoxazole, 2,2'-(1,2-ethenediyl)bis(5-methyl-
CID 5332173
2,5-Dimethylbenzoxazole
CID 21884
2-(2'-Methylphenyl)benzoxazole
CID 154899
3-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 348698

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethyl-1,3-benzoxazol-7-yl)propyl]propanamide?
The IUPAC name of N-[3-(2-ethyl-1,3-benzoxazol-7-yl)propyl]propanamide (CID 10015475) is N-[3-(2-ethyl-1,3-benzoxazol-7-yl)propyl]propanamide.
What is the SMILES notation for N-[3-(2-ethyl-1,3-benzoxazol-7-yl)propyl]propanamide?
The canonical SMILES for N-[3-(2-ethyl-1,3-benzoxazol-7-yl)propyl]propanamide is CCC(=O)NCCCc1cccc2nc(CC)oc12.
What is the InChIKey of N-[3-(2-ethyl-1,3-benzoxazol-7-yl)propyl]propanamide?
The InChIKey is FIVRROVPWAEVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-13(18)16-10-6-8-11-7-5-9-12-15(11)19-14(4-2)17-12/h5,7,9H,3-4,6,8,10H2,1-2H3,(H,16,18).
What are the key properties of N-[3-(2-ethyl-1,3-benzoxazol-7-yl)propyl]propanamide?
N-[3-(2-ethyl-1,3-benzoxazol-7-yl)propyl]propanamide has a molecular weight of 260.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethyl-1,3-benzoxazol-7-yl)propyl]propanamide is sourced from PubChem (CID 10015475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).