N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide

C16H14N2O3 — CID 2738156

IUPACN-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide
SMILESCc1onc(-c2ccccc2)c1CNC(=O)c1ccco1
InChIInChI=1S/C16H14N2O3/c1-11-13(10-17-16(19)14-8-5-9-20-14)15(18-21-11)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,19)
InChIKeyZTBQGDZPEDNARG-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.17
Rot. Bonds4

About N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide

N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide (PubChem CID 2738156) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide
PubChem CID2738156
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide
SMILESCc1onc(-c2ccccc2)c1CNC(=O)c1ccco1
InChIInChI=1S/C16H14N2O3/c1-11-13(10-17-16(19)14-8-5-9-20-14)15(18-21-11)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,19)
InChIKeyZTBQGDZPEDNARG-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide (CID 2738156) is N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide is Cc1onc(-c2ccccc2)c1CNC(=O)c1ccco1.
What is the InChIKey of N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide?
The InChIKey is ZTBQGDZPEDNARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-11-13(10-17-16(19)14-8-5-9-20-14)15(18-21-11)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide?
N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 2738156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).