1-(4-phenyl-1,3-oxazol-2-yl)cyclobutan-1-amine

C13H14N2O — CID 105467669

IUPAC1-(4-phenyl-1,3-oxazol-2-yl)cyclobutan-1-amine
SMILESNC1(c2nc(-c3ccccc3)co2)CCC1
InChIInChI=1S/C13H14N2O/c14-13(7-4-8-13)12-15-11(9-16-12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8,14H2
InChIKeyWTXXYXROXJQZGV-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.68
Rot. Bonds2

About 1-(4-phenyl-1,3-oxazol-2-yl)cyclobutan-1-amine

1-(4-phenyl-1,3-oxazol-2-yl)cyclobutan-1-amine (PubChem CID 105467669) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-(4-phenyl-1,3-oxazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(4-phenyl-1,3-oxazol-2-yl)cyclobutan-1-amine
PubChem CID105467669
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-(4-phenyl-1,3-oxazol-2-yl)cyclobutan-1-amine
SMILESNC1(c2nc(-c3ccccc3)co2)CCC1
InChIInChI=1S/C13H14N2O/c14-13(7-4-8-13)12-15-11(9-16-12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8,14H2
InChIKeyWTXXYXROXJQZGV-UHFFFAOYSA-N
XLogP2.68
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-1,3-oxazol-2-yl)cyclobutan-1-amine?
The IUPAC name of 1-(4-phenyl-1,3-oxazol-2-yl)cyclobutan-1-amine (CID 105467669) is 1-(4-phenyl-1,3-oxazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(4-phenyl-1,3-oxazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(4-phenyl-1,3-oxazol-2-yl)cyclobutan-1-amine is NC1(c2nc(-c3ccccc3)co2)CCC1.
What is the InChIKey of 1-(4-phenyl-1,3-oxazol-2-yl)cyclobutan-1-amine?
The InChIKey is WTXXYXROXJQZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-13(7-4-8-13)12-15-11(9-16-12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8,14H2.
What are the key properties of 1-(4-phenyl-1,3-oxazol-2-yl)cyclobutan-1-amine?
1-(4-phenyl-1,3-oxazol-2-yl)cyclobutan-1-amine has a molecular weight of 214.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-1,3-oxazol-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 105467669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).