N-(1-ethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

C15H16N4O3 — CID 56686389

IUPACN-(1-ethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESCCn1ccc(NC(=O)C2(C)Oc3ccccc3NC2=O)n1
InChIInChI=1S/C15H16N4O3/c1-3-19-9-8-12(18-19)17-14(21)15(2)13(20)16-10-6-4-5-7-11(10)22-15/h4-9H,3H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeyGRXSNRPYQDYTIL-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.63
Rot. Bonds3

About N-(1-ethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

N-(1-ethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (PubChem CID 56686389) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
PubChem CID56686389
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-(1-ethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESCCn1ccc(NC(=O)C2(C)Oc3ccccc3NC2=O)n1
InChIInChI=1S/C15H16N4O3/c1-3-19-9-8-12(18-19)17-14(21)15(2)13(20)16-10-6-4-5-7-11(10)22-15/h4-9H,3H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeyGRXSNRPYQDYTIL-UHFFFAOYSA-N
XLogP1.63
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (CID 56686389) is N-(1-ethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide is CCn1ccc(NC(=O)C2(C)Oc3ccccc3NC2=O)n1.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The InChIKey is GRXSNRPYQDYTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-3-19-9-8-12(18-19)17-14(21)15(2)13(20)16-10-6-4-5-7-11(10)22-15/h4-9H,3H2,1-2H3,(H,16,20)(H,17,18,21).
What are the key properties of N-(1-ethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
N-(1-ethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 56686389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).