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

C18H18N2O2 — CID 22718530

IUPACN-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]acetamide
SMILESCC(=O)NCCCc1cccc2nc(-c3ccccc3)oc12
InChIInChI=1S/C18H18N2O2/c1-13(21)19-12-6-10-14-9-5-11-16-17(14)22-18(20-16)15-7-3-2-4-8-15/h2-5,7-9,11H,6,10,12H2,1H3,(H,19,21)
InChIKeyVCFRMFHIZUMOLS-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.56
Rot. Bonds5

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

N-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]acetamide (PubChem CID 22718530) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]acetamide
PubChem CID22718530
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]acetamide
SMILESCC(=O)NCCCc1cccc2nc(-c3ccccc3)oc12
InChIInChI=1S/C18H18N2O2/c1-13(21)19-12-6-10-14-9-5-11-16-17(14)22-18(20-16)15-7-3-2-4-8-15/h2-5,7-9,11H,6,10,12H2,1H3,(H,19,21)
InChIKeyVCFRMFHIZUMOLS-UHFFFAOYSA-N
XLogP3.56
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.56
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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Related Compounds

Benzoxazole, 2-methyl-5-phenyl-
CID 112786
Flunoxaprofen
CID 68869
Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
2-(4-Aminophenyl)benzoxazol-5-amine
CID 614385
2H-1-Benzopyran-2-one, 3-(2-benzoxazolyl)-7-(diethylamino)-
CID 118870
L 697639
CID 60832
L 696229
CID 72352
4,4'-Bis(2-benzoxazolyl)stilbene
CID 73744
Benzoxazole, 2,2'-(1,2-ethenediyl)bis(5-methyl-
CID 5332173

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]acetamide?
The IUPAC name of N-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]acetamide (CID 22718530) is N-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]acetamide?
The canonical SMILES for N-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]acetamide is CC(=O)NCCCc1cccc2nc(-c3ccccc3)oc12.
What is the InChIKey of N-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]acetamide?
The InChIKey is VCFRMFHIZUMOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13(21)19-12-6-10-14-9-5-11-16-17(14)22-18(20-16)15-7-3-2-4-8-15/h2-5,7-9,11H,6,10,12H2,1H3,(H,19,21).
What are the key properties of N-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]acetamide?
N-[3-(2-phenyl-1,3-benzoxazol-7-yl)propyl]acetamide has a molecular weight of 294.35 g/mol, XLogP of 3.56, 5 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]acetamide is sourced from PubChem (CID 22718530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).