2-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine

C16H16N2O2 — CID 117098248

IUPAC2-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine
SMILESCC(CN)Oc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C16H16N2O2/c1-11(10-17)19-13-7-8-15-14(9-13)18-16(20-15)12-5-3-2-4-6-12/h2-9,11H,10,17H2,1H3
InChIKeyWSPGQXPVIBKXRO-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.22
Rot. Bonds4

About 2-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine

2-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine (PubChem CID 117098248) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine.

Molecular Properties

Compound Name2-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine
PubChem CID117098248
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine
SMILESCC(CN)Oc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C16H16N2O2/c1-11(10-17)19-13-7-8-15-14(9-13)18-16(20-15)12-5-3-2-4-6-12/h2-9,11H,10,17H2,1H3
InChIKeyWSPGQXPVIBKXRO-UHFFFAOYSA-N
XLogP3.22
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 3933123
2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259636
5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane
CID 90914876
2-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]propan-1-amine
CID 117098400
N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide
CID 15997458
(2-phenyl-1,3-benzoxazol-6-yl) acetate
CID 15662262
5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole
CID 129228304
2-[4-(bromomethyl)phenyl]-5-phenyl-1,3-benzoxazole
CID 50850862
bis[4-[1-[4-(1,3-benzoxazol-2-yl)phenoxy]propan-2-yloxy]-2-hydroxyphenyl]methanone
CID 70603741
2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 67473155
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259648
6-methyl-2-phenyl-5-propan-2-yl-1,3-benzoxazole
CID 140904312

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine?
The IUPAC name of 2-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine (CID 117098248) is 2-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine.
What is the SMILES notation for 2-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine?
The canonical SMILES for 2-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine is CC(CN)Oc1ccc2oc(-c3ccccc3)nc2c1.
What is the InChIKey of 2-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine?
The InChIKey is WSPGQXPVIBKXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11(10-17)19-13-7-8-15-14(9-13)18-16(20-15)12-5-3-2-4-6-12/h2-9,11H,10,17H2,1H3.
What are the key properties of 2-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine?
2-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine has a molecular weight of 268.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine is sourced from PubChem (CID 117098248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).