pyridin-2-yl N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]carbamate

C16H14N4O4 — CID 70245679

IUPACpyridin-2-yl N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]carbamate
SMILESCN1N=C(c2ccc(NC(=O)Oc3ccccn3)cc2)COC1=O
InChIInChI=1S/C16H14N4O4/c1-20-16(22)23-10-13(19-20)11-5-7-12(8-6-11)18-15(21)24-14-4-2-3-9-17-14/h2-9H,10H2,1H3,(H,18,21)
InChIKeyCXRIGUINAPASGF-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.48
Rot. Bonds3

About pyridin-2-yl N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]carbamate

pyridin-2-yl N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]carbamate (PubChem CID 70245679) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is pyridin-2-yl N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]carbamate.

Molecular Properties

Compound Namepyridin-2-yl N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]carbamate
PubChem CID70245679
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Namepyridin-2-yl N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]carbamate
SMILESCN1N=C(c2ccc(NC(=O)Oc3ccccn3)cc2)COC1=O
InChIInChI=1S/C16H14N4O4/c1-20-16(22)23-10-13(19-20)11-5-7-12(8-6-11)18-15(21)24-14-4-2-3-9-17-14/h2-9H,10H2,1H3,(H,18,21)
InChIKeyCXRIGUINAPASGF-UHFFFAOYSA-N
XLogP2.48
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]carbamate?
The IUPAC name of pyridin-2-yl N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]carbamate (CID 70245679) is pyridin-2-yl N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]carbamate.
What is the SMILES notation for pyridin-2-yl N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]carbamate?
The canonical SMILES for pyridin-2-yl N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]carbamate is CN1N=C(c2ccc(NC(=O)Oc3ccccn3)cc2)COC1=O.
What is the InChIKey of pyridin-2-yl N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]carbamate?
The InChIKey is CXRIGUINAPASGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c1-20-16(22)23-10-13(19-20)11-5-7-12(8-6-11)18-15(21)24-14-4-2-3-9-17-14/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of pyridin-2-yl N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]carbamate?
pyridin-2-yl N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]carbamate has a molecular weight of 326.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl N-[4-(3-methyl-2-oxo-6H-1,3,4-oxadiazin-5-yl)phenyl]carbamate is sourced from PubChem (CID 70245679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).