azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone

C17H14N2O2 — CID 17488305

IUPACazetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone
SMILESO=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCC1
InChIInChI=1S/C17H14N2O2/c20-17(19-9-4-10-19)13-7-8-15-14(11-13)16(21-18-15)12-5-2-1-3-6-12/h1-3,5-8,11H,4,9-10H2
InChIKeyMQLSCZGOOUHXGR-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.34
Rot. Bonds2

About azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone

azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone (PubChem CID 17488305) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone
PubChem CID17488305
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Nameazetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone
SMILESO=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCC1
InChIInChI=1S/C17H14N2O2/c20-17(19-9-4-10-19)13-7-8-15-14(11-13)16(21-18-15)12-5-2-1-3-6-12/h1-3,5-8,11H,4,9-10H2
InChIKeyMQLSCZGOOUHXGR-UHFFFAOYSA-N
XLogP3.34
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
The IUPAC name of azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone (CID 17488305) is azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
The canonical SMILES for azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone is O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCC1.
What is the InChIKey of azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
The InChIKey is MQLSCZGOOUHXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-17(19-9-4-10-19)13-7-8-15-14(11-13)16(21-18-15)12-5-2-1-3-6-12/h1-3,5-8,11H,4,9-10H2.
What are the key properties of azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone has a molecular weight of 278.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone is sourced from PubChem (CID 17488305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).