N-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide

C16H14N2O3 — CID 30608149

IUPACN-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cc(-c2cc3ccccc3o2)on1)C1CC1
InChIInChI=1S/C16H14N2O3/c19-16(10-5-6-10)17-9-12-8-15(21-18-12)14-7-11-3-1-2-4-13(11)20-14/h1-4,7-8,10H,5-6,9H2,(H,17,19)
InChIKeyODXXYAWYWMFSQR-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.11
Rot. Bonds4

About N-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide

N-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide (PubChem CID 30608149) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
PubChem CID30608149
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cc(-c2cc3ccccc3o2)on1)C1CC1
InChIInChI=1S/C16H14N2O3/c19-16(10-5-6-10)17-9-12-8-15(21-18-12)14-7-11-3-1-2-4-13(11)20-14/h1-4,7-8,10H,5-6,9H2,(H,17,19)
InChIKeyODXXYAWYWMFSQR-UHFFFAOYSA-N
XLogP3.11
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 27370057
N-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 30608221
2-[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]-N-(1,2-oxazol-3-yl)acetamide
CID 30850600
4-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 16867353
[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-oxochromene-3-carboxylate
CID 30608554
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 27370128
2-[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 30850586
4-butyl-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]cyclohexane-1-carboxamide
CID 30607957
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]cyclohexanecarboxamide
CID 16866590
N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-1-benzofuran-2-carboxamide
CID 27370099
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide
CID 129356177
4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783676

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide (CID 30608149) is N-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide is O=C(NCc1cc(-c2cc3ccccc3o2)on1)C1CC1.
What is the InChIKey of N-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide?
The InChIKey is ODXXYAWYWMFSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-16(10-5-6-10)17-9-12-8-15(21-18-12)14-7-11-3-1-2-4-13(11)20-14/h1-4,7-8,10H,5-6,9H2,(H,17,19).
What are the key properties of N-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide?
N-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide has a molecular weight of 282.30 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 30608149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).