5-(furan-2-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide

C16H11N3O5 — CID 24666517

IUPAC5-(furan-2-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
SMILESO=C1COc2ccc(NC(=O)c3cc(-c4ccco4)on3)cc2N1
InChIInChI=1S/C16H11N3O5/c20-15-8-23-12-4-3-9(6-10(12)18-15)17-16(21)11-7-14(24-19-11)13-2-1-5-22-13/h1-7H,8H2,(H,17,21)(H,18,20)
InChIKeyBTVQGBPAAPOCQA-UHFFFAOYSA-N
MW325.28 g/mol
LogP2.52
Rot. Bonds3

About 5-(furan-2-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide (PubChem CID 24666517) has the molecular formula C16H11N3O5 and a molecular weight of 325.28 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
PubChem CID24666517
Molecular FormulaC16H11N3O5
Molecular Weight325.28 g/mol
Exact Mass325.07
IUPAC Name5-(furan-2-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
SMILESO=C1COc2ccc(NC(=O)c3cc(-c4ccco4)on3)cc2N1
InChIInChI=1S/C16H11N3O5/c20-15-8-23-12-4-3-9(6-10(12)18-15)17-16(21)11-7-14(24-19-11)13-2-1-5-22-13/h1-7H,8H2,(H,17,21)(H,18,20)
InChIKeyBTVQGBPAAPOCQA-UHFFFAOYSA-N
XLogP2.52
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 33125130
5-(furan-2-yl)-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 146021877
5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35528644
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
CID 55133554
2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidine-5-carboxamide
CID 47021211
N-(3,4-dimethylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3244522
N-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55504919
3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 31020779
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carboxamide
CID 47177463
2-(aminomethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
CID 66376900
5-(furan-2-yl)-N-(3-iodophenyl)-1,2-oxazole-3-carboxamide
CID 24663749

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide (CID 24666517) is 5-(furan-2-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide is O=C1COc2ccc(NC(=O)c3cc(-c4ccco4)on3)cc2N1.
What is the InChIKey of 5-(furan-2-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is BTVQGBPAAPOCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O5/c20-15-8-23-12-4-3-9(6-10(12)18-15)17-16(21)11-7-14(24-19-11)13-2-1-5-22-13/h1-7H,8H2,(H,17,21)(H,18,20).
What are the key properties of 5-(furan-2-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 325.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24666517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).