N-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C20H15N3O5 — CID 55504919

IUPACN-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)cc2N1
InChIInChI=1S/C20H15N3O5/c24-18-11-28-16-8-3-12(10-15(16)23-18)19(25)21-13-4-6-14(7-5-13)22-20(26)17-2-1-9-27-17/h1-10H,11H2,(H,21,25)(H,22,26)(H,23,24)
InChIKeyJBHBHRAEYAEHQK-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.12
Rot. Bonds4

About N-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 55504919) has the molecular formula C20H15N3O5 and a molecular weight of 377.36 g/mol. Its IUPAC name is N-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID55504919
Molecular FormulaC20H15N3O5
Molecular Weight377.36 g/mol
Exact Mass377.10
IUPAC NameN-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)cc2N1
InChIInChI=1S/C20H15N3O5/c24-18-11-28-16-8-3-12(10-15(16)23-18)19(25)21-13-4-6-14(7-5-13)22-20(26)17-2-1-9-27-17/h1-10H,11H2,(H,21,25)(H,22,26)(H,23,24)
InChIKeyJBHBHRAEYAEHQK-UHFFFAOYSA-N
XLogP3.12
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate
CID 4611682
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 9191529
N-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763814
3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153492
N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)furan-2-carboxamide
CID 40887752
N-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17455965
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 55491378

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 55504919) is N-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide is O=C1COc2ccc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)cc2N1.
What is the InChIKey of N-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is JBHBHRAEYAEHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O5/c24-18-11-28-16-8-3-12(10-15(16)23-18)19(25)21-13-4-6-14(7-5-13)22-20(26)17-2-1-9-27-17/h1-10H,11H2,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 377.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 55504919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).