N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C15H12N2O3 — CID 3241359

IUPACN-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(-c2ccco2)on1
InChIInChI=1S/C15H12N2O3/c18-15(16-10-11-5-2-1-3-6-11)12-9-14(20-17-12)13-7-4-8-19-13/h1-9H,10H2,(H,16,18)
InChIKeyADLFDMYTCQSNOH-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.86
Rot. Bonds4

About N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 3241359) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID3241359
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC NameN-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(-c2ccco2)on1
InChIInChI=1S/C15H12N2O3/c18-15(16-10-11-5-2-1-3-6-11)12-9-14(20-17-12)13-7-4-8-19-13/h1-9H,10H2,(H,16,18)
InChIKeyADLFDMYTCQSNOH-UHFFFAOYSA-N
XLogP2.86
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 3241359) is N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is O=C(NCc1ccccc1)c1cc(-c2ccco2)on1.
What is the InChIKey of N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is ADLFDMYTCQSNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-15(16-10-11-5-2-1-3-6-11)12-9-14(20-17-12)13-7-4-8-19-13/h1-9H,10H2,(H,16,18).
What are the key properties of N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 268.27 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3241359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).