2-[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]ethanamine

C14H16N2O — CID 65179292

IUPAC2-[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]ethanamine
SMILESNCCc1ncc(C2(c3ccccc3)CC2)o1
InChIInChI=1S/C14H16N2O/c15-9-6-13-16-10-12(17-13)14(7-8-14)11-4-2-1-3-5-11/h1-5,10H,6-9,15H2
InChIKeyWPYIYBNPGGAHHY-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.26
Rot. Bonds4

About 2-[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]ethanamine

2-[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65179292) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65179292
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]ethanamine
SMILESNCCc1ncc(C2(c3ccccc3)CC2)o1
InChIInChI=1S/C14H16N2O/c15-9-6-13-16-10-12(17-13)14(7-8-14)11-4-2-1-3-5-11/h1-5,10H,6-9,15H2
InChIKeyWPYIYBNPGGAHHY-UHFFFAOYSA-N
XLogP2.26
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]ethanamine (CID 65179292) is 2-[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]ethanamine is NCCc1ncc(C2(c3ccccc3)CC2)o1.
What is the InChIKey of 2-[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is WPYIYBNPGGAHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-9-6-13-16-10-12(17-13)14(7-8-14)11-4-2-1-3-5-11/h1-5,10H,6-9,15H2.
What are the key properties of 2-[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]ethanamine?
2-[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 228.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65179292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).