5,6-dihydro-4H-1,3-oxazine-2-carboxamide

C5H8N2O2 — CID 70561421

IUPAC5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESNC(=O)C1=NCCCO1
InChIInChI=1S/C5H8N2O2/c6-4(8)5-7-2-1-3-9-5/h1-3H2,(H2,6,8)
InChIKeyJMARTERLEOZWMS-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.71
Rot. Bonds1

About 5,6-dihydro-4H-1,3-oxazine-2-carboxamide

5,6-dihydro-4H-1,3-oxazine-2-carboxamide (PubChem CID 70561421) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 5,6-dihydro-4H-1,3-oxazine-2-carboxamide.

Molecular Properties

Compound Name5,6-dihydro-4H-1,3-oxazine-2-carboxamide
PubChem CID70561421
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESNC(=O)C1=NCCCO1
InChIInChI=1S/C5H8N2O2/c6-4(8)5-7-2-1-3-9-5/h1-3H2,(H2,6,8)
InChIKeyJMARTERLEOZWMS-UHFFFAOYSA-N
XLogP-0.71
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The IUPAC name of 5,6-dihydro-4H-1,3-oxazine-2-carboxamide (CID 70561421) is 5,6-dihydro-4H-1,3-oxazine-2-carboxamide.
What is the SMILES notation for 5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The canonical SMILES for 5,6-dihydro-4H-1,3-oxazine-2-carboxamide is NC(=O)C1=NCCCO1.
What is the InChIKey of 5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The InChIKey is JMARTERLEOZWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c6-4(8)5-7-2-1-3-9-5/h1-3H2,(H2,6,8).
What are the key properties of 5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
5,6-dihydro-4H-1,3-oxazine-2-carboxamide has a molecular weight of 128.13 g/mol, XLogP of -0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-1,3-oxazine-2-carboxamide is sourced from PubChem (CID 70561421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).