(Z)-2-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine

C17H15FN2O2 — CID 162369022

IUPAC(Z)-2-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C/F)COc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C17H15FN2O2/c18-9-12(10-19)11-21-14-7-5-13(6-8-14)17-20-15-3-1-2-4-16(15)22-17/h1-9H,10-11,19H2/b12-9-
InChIKeyHSDOLWWRACNOBG-XFXZXTDPSA-N
MW298.32 g/mol
LogP3.69
Rot. Bonds5

About (Z)-2-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine

(Z)-2-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine (PubChem CID 162369022) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is (Z)-2-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
PubChem CID162369022
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name(Z)-2-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C/F)COc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C17H15FN2O2/c18-9-12(10-19)11-21-14-7-5-13(6-8-14)17-20-15-3-1-2-4-16(15)22-17/h1-9H,10-11,19H2/b12-9-
InChIKeyHSDOLWWRACNOBG-XFXZXTDPSA-N
XLogP3.69
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Prinaberel
CID 656954
Benzoxazole, 2-methyl-5-phenyl-
CID 112786
Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
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
BI 99179
CID 51346964
3-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 348698

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The IUPAC name of (Z)-2-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine (CID 162369022) is (Z)-2-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (Z)-2-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (Z)-2-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine is NC/C(=C/F)COc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of (Z)-2-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The InChIKey is HSDOLWWRACNOBG-XFXZXTDPSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-9-12(10-19)11-21-14-7-5-13(6-8-14)17-20-15-3-1-2-4-16(15)22-17/h1-9H,10-11,19H2/b12-9-.
What are the key properties of (Z)-2-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
(Z)-2-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine has a molecular weight of 298.32 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 162369022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).