2-(furan-3-yl)-1,3-oxazole-5-carboximidamide

C8H7N3O2 — CID 57200402

IUPAC2-(furan-3-yl)-1,3-oxazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(-c2ccoc2)o1
InChIInChI=1S/C8H7N3O2/c9-7(10)6-3-11-8(13-6)5-1-2-12-4-5/h1-4H,(H3,9,10)
InChIKeyBUZTUFFREWRRAH-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.22
Rot. Bonds2

About 2-(furan-3-yl)-1,3-oxazole-5-carboximidamide

2-(furan-3-yl)-1,3-oxazole-5-carboximidamide (PubChem CID 57200402) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-(furan-3-yl)-1,3-oxazole-5-carboximidamide.

Molecular Properties

Compound Name2-(furan-3-yl)-1,3-oxazole-5-carboximidamide
PubChem CID57200402
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name2-(furan-3-yl)-1,3-oxazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(-c2ccoc2)o1
InChIInChI=1S/C8H7N3O2/c9-7(10)6-3-11-8(13-6)5-1-2-12-4-5/h1-4H,(H3,9,10)
InChIKeyBUZTUFFREWRRAH-UHFFFAOYSA-N
XLogP1.22
TPSA89.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(Furan-3-yl)-1,3-oxazole
CID 21648468
[4-(1,3-Oxazol-2-yl)furan-2-yl]phosphonic acid
CID 70211931
N-ethyl-N-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylprop-2-en-1-amine
CID 26404342
4-Aminomethyl-5-methyl-2-(furan-3-yl)oxazole
CID 26967215
2-(Furan-3-yl)-5-methyloxazole
CID 86014945
4-(5-Methyl-1,3-oxazol-2-yl)furan-3-carboxylic acid
CID 96624010
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(furan-3-yl)methanamine
CID 103275149
1-(furan-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275486
2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-3-carboxamide
CID 106898982
1-(furan-3-yl)-N-(1,3-oxazol-5-ylmethyl)methanamine
CID 116376587
5-Amino-4-(1,3-oxazol-2-yl)furan-3-carbaldehyde
CID 129975221
5-(Chloromethyl)-2-(furan-3-yl)-1,3-oxazole
CID 130046853

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-1,3-oxazole-5-carboximidamide?
The IUPAC name of 2-(furan-3-yl)-1,3-oxazole-5-carboximidamide (CID 57200402) is 2-(furan-3-yl)-1,3-oxazole-5-carboximidamide.
What is the SMILES notation for 2-(furan-3-yl)-1,3-oxazole-5-carboximidamide?
The canonical SMILES for 2-(furan-3-yl)-1,3-oxazole-5-carboximidamide is [H]/N=C(\N)c1cnc(-c2ccoc2)o1.
What is the InChIKey of 2-(furan-3-yl)-1,3-oxazole-5-carboximidamide?
The InChIKey is BUZTUFFREWRRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-7(10)6-3-11-8(13-6)5-1-2-12-4-5/h1-4H,(H3,9,10).
What are the key properties of 2-(furan-3-yl)-1,3-oxazole-5-carboximidamide?
2-(furan-3-yl)-1,3-oxazole-5-carboximidamide has a molecular weight of 177.16 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-1,3-oxazole-5-carboximidamide is sourced from PubChem (CID 57200402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).