N-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]amino]formamide

C13H10N2O4 — CID 143034956

IUPACN-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]amino]formamide
SMILESO=CNNc1ccc(-c2ccc3c(c2)COC3=O)o1
InChIInChI=1S/C13H10N2O4/c16-7-14-15-12-4-3-11(19-12)8-1-2-10-9(5-8)6-18-13(10)17/h1-5,7,15H,6H2,(H,14,16)
InChIKeySXCVPFLHZNOYRB-UHFFFAOYSA-N
MW258.23 g/mol
LogP1.69
Rot. Bonds4

About N-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]amino]formamide

N-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]amino]formamide (PubChem CID 143034956) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is N-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]amino]formamide.

Molecular Properties

Compound NameN-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]amino]formamide
PubChem CID143034956
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC NameN-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]amino]formamide
SMILESO=CNNc1ccc(-c2ccc3c(c2)COC3=O)o1
InChIInChI=1S/C13H10N2O4/c16-7-14-15-12-4-3-11(19-12)8-1-2-10-9(5-8)6-18-13(10)17/h1-5,7,15H,6H2,(H,14,16)
InChIKeySXCVPFLHZNOYRB-UHFFFAOYSA-N
XLogP1.69
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-2-cyano-3-[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]prop-2-enoic acid
CID 50884174
3-methylidene-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,2-oxazolidin-5-one
CID 3326572
6-[5-[(E)-hydroxyiminomethyl]furan-2-yl]-3H-2-benzofuran-1-one
CID 50887825
5-(1-oxo-3H-2-benzofuran-5-yl)-1-benzothiophene-2-carbaldehyde
CID 89427851
5-naphthalen-1-yl-3H-2-benzofuran-1-one
CID 102047975
5-(3-fluoro-4-methylphenyl)-3H-2-benzofuran-1-one
CID 155276243
(4Z)-2-(3-chlorophenyl)-5-methyl-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]pyrazol-3-one
CID 5442551
(5E)-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]pyridine-3-carbonitrile
CID 6115571
(4Z)-5-methyl-4-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-2-(2H-tetrazol-5-yl)pyrazol-3-one
CID 7341819
5-(4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridin-5-ium-2-yl)-3H-2-benzofuran-1-one chloride
CID 122620214
(5E)-4-methyl-2,6-dioxo-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1-(2-phenylethyl)piperidine-3-carbonitrile
CID 163564222
5-[(1S)-1-aminoethyl]-3H-2-benzofuran-1-one
CID 130706851

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]amino]formamide?
The IUPAC name of N-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]amino]formamide (CID 143034956) is N-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]amino]formamide.
What is the SMILES notation for N-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]amino]formamide?
The canonical SMILES for N-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]amino]formamide is O=CNNc1ccc(-c2ccc3c(c2)COC3=O)o1.
What is the InChIKey of N-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]amino]formamide?
The InChIKey is SXCVPFLHZNOYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c16-7-14-15-12-4-3-11(19-12)8-1-2-10-9(5-8)6-18-13(10)17/h1-5,7,15H,6H2,(H,14,16).
What are the key properties of N-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]amino]formamide?
N-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]amino]formamide has a molecular weight of 258.23 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]amino]formamide is sourced from PubChem (CID 143034956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).