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

C20H18N4O3 — CID 66551727

IUPACN-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCC(C)N(Cc1nc(-c2cccnc2)no1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H18N4O3/c1-13(2)24(20(25)17-10-14-6-3-4-8-16(14)26-17)12-18-22-19(23-27-18)15-7-5-9-21-11-15/h3-11,13H,12H2,1-2H3
InChIKeyRQNFJMNPNKUOAA-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.93
Rot. Bonds5

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

N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 66551727) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID66551727
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCC(C)N(Cc1nc(-c2cccnc2)no1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H18N4O3/c1-13(2)24(20(25)17-10-14-6-3-4-8-16(14)26-17)12-18-22-19(23-27-18)15-7-5-9-21-11-15/h3-11,13H,12H2,1-2H3
InChIKeyRQNFJMNPNKUOAA-UHFFFAOYSA-N
XLogP3.93
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylpyridin-2-yl)-1-benzofuran-2-carboxamide
CID 2872083
3-methyl-N-(5-methyl-2-pyridinyl)-2-benzofurancarboxamide
CID 18106749
3-methyl-N-(4-methylpyridin-2-yl)-1-benzofuran-2-carboxamide
CID 21211963
N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 748350
N-[(2R)-1-[4-[3-[3-fluoro-4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 44373884
(S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)benzofuran-2-carboxamide
CID 46886504
4-[5-(1-benzofuran-2-carbonylamino)-2-pyridinyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 52917419
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide
CID 142499849
3-methyl-N-2-pyridinyl-1-benzofuran-2-carboxamide
CID 1245473
1-Benzofuran-2-yl-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
CID 3242211
[3-(Methoxymethyl)-1-benzofuran-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 8152006
2-ethoxy-N-{2-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}acetamide
CID 20925932

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide (CID 66551727) is N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide is CC(C)N(Cc1nc(-c2cccnc2)no1)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is RQNFJMNPNKUOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-13(2)24(20(25)17-10-14-6-3-4-8-16(14)26-17)12-18-22-19(23-27-18)15-7-5-9-21-11-15/h3-11,13H,12H2,1-2H3.
What are the key properties of N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 66551727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).