5-(azetidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2-oxazole

C9H9N3OS — CID 91302221

IUPAC5-(azetidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2-oxazole
SMILESc1nc(-c2cc(C3CCN3)on2)cs1
InChIInChI=1S/C9H9N3OS/c1-2-10-6(1)9-3-7(12-13-9)8-4-14-5-11-8/h3-6,10H,1-2H2
InChIKeyDHWMNPROMPNETN-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.83
Rot. Bonds2

About 5-(azetidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2-oxazole

5-(azetidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2-oxazole (PubChem CID 91302221) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 5-(azetidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(azetidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2-oxazole
PubChem CID91302221
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name5-(azetidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2-oxazole
SMILESc1nc(-c2cc(C3CCN3)on2)cs1
InChIInChI=1S/C9H9N3OS/c1-2-10-6(1)9-3-7(12-13-9)8-4-14-5-11-8/h3-6,10H,1-2H2
InChIKeyDHWMNPROMPNETN-UHFFFAOYSA-N
XLogP1.83
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2-oxazole?
The IUPAC name of 5-(azetidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2-oxazole (CID 91302221) is 5-(azetidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 5-(azetidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2-oxazole?
The canonical SMILES for 5-(azetidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2-oxazole is c1nc(-c2cc(C3CCN3)on2)cs1.
What is the InChIKey of 5-(azetidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2-oxazole?
The InChIKey is DHWMNPROMPNETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-2-10-6(1)9-3-7(12-13-9)8-4-14-5-11-8/h3-6,10H,1-2H2.
What are the key properties of 5-(azetidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2-oxazole?
5-(azetidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2-oxazole has a molecular weight of 207.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 91302221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).