N-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

C16H14N2O4 — CID 3244363

IUPACN-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3ccco3)no2)c1
InChIInChI=1S/C16H14N2O4/c1-20-12-5-2-4-11(8-12)15-9-14(18-22-15)16(19)17-10-13-6-3-7-21-13/h2-9H,10H2,1H3,(H,17,19)
InChIKeyVLTZRGPEWQWHCK-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.87
Rot. Bonds5

About N-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3244363) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3244363
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC NameN-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3ccco3)no2)c1
InChIInChI=1S/C16H14N2O4/c1-20-12-5-2-4-11(8-12)15-9-14(18-22-15)16(19)17-10-13-6-3-7-21-13/h2-9H,10H2,1H3,(H,17,19)
InChIKeyVLTZRGPEWQWHCK-UHFFFAOYSA-N
XLogP2.87
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3244363) is N-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)NCc3ccco3)no2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VLTZRGPEWQWHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-20-12-5-2-4-11(8-12)15-9-14(18-22-15)16(19)17-10-13-6-3-7-21-13/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3244363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).