2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1,3-benzoxazole-6-carboximidamide

C19H15N5O2 — CID 134840621

IUPAC2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1,3-benzoxazole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3nc4ccc(/C(N)=N/[H])cc4o3)o2)cc1
InChIInChI=1S/C19H15N5O2/c20-17(21)11-3-1-10(2-4-11)14-7-8-15(25-14)19-24-13-6-5-12(18(22)23)9-16(13)26-19/h1-9H,(H3,20,21)(H3,22,23)
InChIKeySWANIMBRMZUMRJ-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.32
Rot. Bonds4

About 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1,3-benzoxazole-6-carboximidamide

2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1,3-benzoxazole-6-carboximidamide (PubChem CID 134840621) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1,3-benzoxazole-6-carboximidamide.

Molecular Properties

Compound Name2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1,3-benzoxazole-6-carboximidamide
PubChem CID134840621
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1,3-benzoxazole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3nc4ccc(/C(N)=N/[H])cc4o3)o2)cc1
InChIInChI=1S/C19H15N5O2/c20-17(21)11-3-1-10(2-4-11)14-7-8-15(25-14)19-24-13-6-5-12(18(22)23)9-16(13)26-19/h1-9H,(H3,20,21)(H3,22,23)
InChIKeySWANIMBRMZUMRJ-UHFFFAOYSA-N
XLogP3.32
TPSA138.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride
CID 11153113
2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide
CID 11990527
4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide
CID 10957290
2-cyclopropyl-1,3-benzoxazole-6-carboximidamide
CID 83880905
4-[5-(4-tert-butylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026326
4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026325
4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide
CID 143041341
acetic acid;4-[5-(3-nitrophenyl)furan-2-yl]benzenecarboximidamide
CID 127027840
2-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-4-carboximidamide
CID 73057705
2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 167448203
4-(furan-2-yl)benzenecarboximidamide
CID 11286893
ethane;4-phenylbenzenecarboximidamide
CID 91221015

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1,3-benzoxazole-6-carboximidamide?
The IUPAC name of 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1,3-benzoxazole-6-carboximidamide (CID 134840621) is 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1,3-benzoxazole-6-carboximidamide.
What is the SMILES notation for 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1,3-benzoxazole-6-carboximidamide?
The canonical SMILES for 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1,3-benzoxazole-6-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3nc4ccc(/C(N)=N/[H])cc4o3)o2)cc1.
What is the InChIKey of 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1,3-benzoxazole-6-carboximidamide?
The InChIKey is SWANIMBRMZUMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c20-17(21)11-3-1-10(2-4-11)14-7-8-15(25-14)19-24-13-6-5-12(18(22)23)9-16(13)26-19/h1-9H,(H3,20,21)(H3,22,23).
What are the key properties of 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1,3-benzoxazole-6-carboximidamide?
2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1,3-benzoxazole-6-carboximidamide has a molecular weight of 345.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-1,3-benzoxazole-6-carboximidamide is sourced from PubChem (CID 134840621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).