N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide

C16H13N5O4 — CID 42110962

IUPACN-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide
SMILESCOc1cccc2cc(-c3nnc(NC(=O)c4ccn(C)n4)o3)oc12
InChIInChI=1S/C16H13N5O4/c1-21-7-6-10(20-21)14(22)17-16-19-18-15(25-16)12-8-9-4-3-5-11(23-2)13(9)24-12/h3-8H,1-2H3,(H,17,19,22)
InChIKeyAZMGUQVIOICWNB-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.48
Rot. Bonds4

About N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide

N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 42110962) has the molecular formula C16H13N5O4 and a molecular weight of 339.31 g/mol. Its IUPAC name is N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide
PubChem CID42110962
Molecular FormulaC16H13N5O4
Molecular Weight339.31 g/mol
Exact Mass339.10
IUPAC NameN-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide
SMILESCOc1cccc2cc(-c3nnc(NC(=O)c4ccn(C)n4)o3)oc12
InChIInChI=1S/C16H13N5O4/c1-21-7-6-10(20-21)14(22)17-16-19-18-15(25-16)12-8-9-4-3-5-11(23-2)13(9)24-12/h3-8H,1-2H3,(H,17,19,22)
InChIKeyAZMGUQVIOICWNB-UHFFFAOYSA-N
XLogP2.48
TPSA108.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 40956695
N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide
CID 40956716
N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 40956673
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 40957047
3-(4-chlorophenyl)sulfanyl-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 40956842
2-(4-ethoxyphenyl)-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 40956967
N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 40956656
2-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 40957015
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 16854474
4-(dimethylamino)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 40890071
1-(4-chlorophenyl)sulfonyl-N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 40956969
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 40957083

Frequently Asked Questions

What is the IUPAC name of N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide (CID 42110962) is N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide is COc1cccc2cc(-c3nnc(NC(=O)c4ccn(C)n4)o3)oc12.
What is the InChIKey of N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is AZMGUQVIOICWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O4/c1-21-7-6-10(20-21)14(22)17-16-19-18-15(25-16)12-8-9-4-3-5-11(23-2)13(9)24-12/h3-8H,1-2H3,(H,17,19,22).
What are the key properties of N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide?
N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 339.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 42110962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).