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

C19H20N2O2 — CID 22718610

IUPACN-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]propanamide
SMILESCCC(=O)NCCCc1cccc2nc(-c3ccccc3)oc12
InChIInChI=1S/C19H20N2O2/c1-2-17(22)20-13-7-11-14-10-6-12-16-18(14)23-19(21-16)15-8-4-3-5-9-15/h3-6,8-10,12H,2,7,11,13H2,1H3,(H,20,22)
InChIKeyYLJCPWINWICOHI-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.95
Rot. Bonds6

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

N-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]propanamide (PubChem CID 22718610) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]propanamide.

Molecular Properties

Compound NameN-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]propanamide
PubChem CID22718610
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]propanamide
SMILESCCC(=O)NCCCc1cccc2nc(-c3ccccc3)oc12
InChIInChI=1S/C19H20N2O2/c1-2-17(22)20-13-7-11-14-10-6-12-16-18(14)23-19(21-16)15-8-4-3-5-9-15/h3-6,8-10,12H,2,7,11,13H2,1H3,(H,20,22)
InChIKeyYLJCPWINWICOHI-UHFFFAOYSA-N
XLogP3.95
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]propanamide?
The IUPAC name of N-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]propanamide (CID 22718610) is N-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]propanamide.
What is the SMILES notation for N-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]propanamide?
The canonical SMILES for N-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]propanamide is CCC(=O)NCCCc1cccc2nc(-c3ccccc3)oc12.
What is the InChIKey of N-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]propanamide?
The InChIKey is YLJCPWINWICOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-17(22)20-13-7-11-14-10-6-12-16-18(14)23-19(21-16)15-8-4-3-5-9-15/h3-6,8-10,12H,2,7,11,13H2,1H3,(H,20,22).
What are the key properties of N-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]propanamide?
N-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]propanamide has a molecular weight of 308.38 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]propanamide is sourced from PubChem (CID 22718610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).