2H-oxazine;1,3-oxazole;thiolane

C11H16N2O2S — CID 174669566

IUPAC2H-oxazine;1,3-oxazole;thiolane
SMILESC1=CNOC=C1.C1CCSC1.c1cocn1
InChIInChI=1S/C4H5NO.C4H8S.C3H3NO/c1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-5H;1-4H2;1-3H
InChIKeyZKCMTCXNVQHTPJ-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.74
Rot. Bonds

About 2H-oxazine;1,3-oxazole;thiolane

2H-oxazine;1,3-oxazole;thiolane (PubChem CID 174669566) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2H-oxazine;1,3-oxazole;thiolane.

Molecular Properties

Compound Name2H-oxazine;1,3-oxazole;thiolane
PubChem CID174669566
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2H-oxazine;1,3-oxazole;thiolane
SMILESC1=CNOC=C1.C1CCSC1.c1cocn1
InChIInChI=1S/C4H5NO.C4H8S.C3H3NO/c1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-5H;1-4H2;1-3H
InChIKeyZKCMTCXNVQHTPJ-UHFFFAOYSA-N
XLogP2.74
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2H-oxazine;1,3-oxazole;thiolane?
The IUPAC name of 2H-oxazine;1,3-oxazole;thiolane (CID 174669566) is 2H-oxazine;1,3-oxazole;thiolane.
What is the SMILES notation for 2H-oxazine;1,3-oxazole;thiolane?
The canonical SMILES for 2H-oxazine;1,3-oxazole;thiolane is C1=CNOC=C1.C1CCSC1.c1cocn1.
What is the InChIKey of 2H-oxazine;1,3-oxazole;thiolane?
The InChIKey is ZKCMTCXNVQHTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO.C4H8S.C3H3NO/c1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-5H;1-4H2;1-3H.
What are the key properties of 2H-oxazine;1,3-oxazole;thiolane?
2H-oxazine;1,3-oxazole;thiolane has a molecular weight of 240.33 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-oxazine;1,3-oxazole;thiolane is sourced from PubChem (CID 174669566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).