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

C19H16N4O3 — CID 50958227

IUPACN,5-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(C)Cc3nc(-c4ccncc4)no3)cc2c1
InChIInChI=1S/C19H16N4O3/c1-12-3-4-15-14(9-12)10-16(25-15)19(24)23(2)11-17-21-18(22-26-17)13-5-7-20-8-6-13/h3-10H,11H2,1-2H3
InChIKeySGFBQOKDGKLRJT-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.46
Rot. Bonds4

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

N,5-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 50958227) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is N,5-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID50958227
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC NameN,5-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(C)Cc3nc(-c4ccncc4)no3)cc2c1
InChIInChI=1S/C19H16N4O3/c1-12-3-4-15-14(9-12)10-16(25-15)19(24)23(2)11-17-21-18(22-26-17)13-5-7-20-8-6-13/h3-10H,11H2,1-2H3
InChIKeySGFBQOKDGKLRJT-UHFFFAOYSA-N
XLogP3.46
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

N,3-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835651
N-(2-hydroxypropyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 62335366
N-(2-chloroethyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 63391619
6-methyl-3-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56757986
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
CID 69190964
1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea
CID 3164417
5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 895193
3-(2,4-dimethylphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 134043007
N,3,4-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6462643
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 122558222
N-[2-(2,4-dimethylphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 48670939
N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70760900

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N,5-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide (CID 50958227) is N,5-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)N(C)Cc3nc(-c4ccncc4)no3)cc2c1.
What is the InChIKey of N,5-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is SGFBQOKDGKLRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-12-3-4-15-14(9-12)10-16(25-15)19(24)23(2)11-17-21-18(22-26-17)13-5-7-20-8-6-13/h3-10H,11H2,1-2H3.
What are the key properties of N,5-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
N,5-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 50958227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).