N-[[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide

C16H12N4O5 — CID 53139190

IUPACN-[[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
SMILESCn1c(=O)oc2cc(-c3noc(CNC(=O)c4ccco4)n3)ccc21
InChIInChI=1S/C16H12N4O5/c1-20-10-5-4-9(7-12(10)24-16(20)22)14-18-13(25-19-14)8-17-15(21)11-3-2-6-23-11/h2-7H,8H2,1H3,(H,17,21)
InChIKeyMRROMKOLRVZDFD-UHFFFAOYSA-N
MW340.30 g/mol
LogP1.70
Rot. Bonds4

About N-[[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide

N-[[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide (PubChem CID 53139190) has the molecular formula C16H12N4O5 and a molecular weight of 340.30 g/mol. Its IUPAC name is N-[[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
PubChem CID53139190
Molecular FormulaC16H12N4O5
Molecular Weight340.30 g/mol
Exact Mass340.08
IUPAC NameN-[[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
SMILESCn1c(=O)oc2cc(-c3noc(CNC(=O)c4ccco4)n3)ccc21
InChIInChI=1S/C16H12N4O5/c1-20-10-5-4-9(7-12(10)24-16(20)22)14-18-13(25-19-14)8-17-15(21)11-3-2-6-23-11/h2-7H,8H2,1H3,(H,17,21)
InChIKeyMRROMKOLRVZDFD-UHFFFAOYSA-N
XLogP1.70
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide (CID 53139190) is N-[[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide is Cn1c(=O)oc2cc(-c3noc(CNC(=O)c4ccco4)n3)ccc21.
What is the InChIKey of N-[[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The InChIKey is MRROMKOLRVZDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O5/c1-20-10-5-4-9(7-12(10)24-16(20)22)14-18-13(25-19-14)8-17-15(21)11-3-2-6-23-11/h2-7H,8H2,1H3,(H,17,21).
What are the key properties of N-[[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
N-[[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 53139190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).