3-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide

C22H16N4O3 — CID 78839014

IUPAC3-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2nc(-c3ccncc3)no2)oc2c1ccc1ccccc12
InChIInChI=1S/C22H16N4O3/c1-13-16-7-6-14-4-2-3-5-17(14)20(16)28-19(13)22(27)24-12-18-25-21(26-29-18)15-8-10-23-11-9-15/h2-11H,12H2,1H3,(H,24,27)
InChIKeyKYMIJWBYSGVELK-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.27
Rot. Bonds4

About 3-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide

3-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide (PubChem CID 78839014) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 3-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide
PubChem CID78839014
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC Name3-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2nc(-c3ccncc3)no2)oc2c1ccc1ccccc12
InChIInChI=1S/C22H16N4O3/c1-13-16-7-6-14-4-2-3-5-17(14)20(16)28-19(13)22(27)24-12-18-25-21(26-29-18)15-8-10-23-11-9-15/h2-11H,12H2,1H3,(H,24,27)
InChIKeyKYMIJWBYSGVELK-UHFFFAOYSA-N
XLogP4.27
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide with MolForge

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Related Compounds

(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
CID 69190964
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide
CID 86825646
4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 78839044
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
CID 91819231
5-bromo-3-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 39835126
3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 134042967
tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 56770463
cis-(1S,3R)-2,2-dimethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95859031
6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid
CID 119352194
6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 78861696
2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 100711700
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate
CID 30591489

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide (CID 78839014) is 3-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide is Cc1c(C(=O)NCc2nc(-c3ccncc3)no2)oc2c1ccc1ccccc12.
What is the InChIKey of 3-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide?
The InChIKey is KYMIJWBYSGVELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3/c1-13-16-7-6-14-4-2-3-5-17(14)20(16)28-19(13)22(27)24-12-18-25-21(26-29-18)15-8-10-23-11-9-15/h2-11H,12H2,1H3,(H,24,27).
What are the key properties of 3-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide?
3-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 78839014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).