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

C18H16N4O3 — CID 131932437

IUPACN-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CCO2)c1nc(-c2ccncc2)no1
InChIInChI=1S/C18H16N4O3/c1-11(18-21-16(22-25-18)12-4-7-19-8-5-12)20-17(23)14-2-3-15-13(10-14)6-9-24-15/h2-5,7-8,10-11H,6,9H2,1H3,(H,20,23)
InChIKeyAOCPWUSWHFUTCM-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.56
Rot. Bonds4

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

N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 131932437) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID131932437
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CCO2)c1nc(-c2ccncc2)no1
InChIInChI=1S/C18H16N4O3/c1-11(18-21-16(22-25-18)12-4-7-19-8-5-12)20-17(23)14-2-3-15-13(10-14)6-9-24-15/h2-5,7-8,10-11H,6,9H2,1H3,(H,20,23)
InChIKeyAOCPWUSWHFUTCM-UHFFFAOYSA-N
XLogP2.56
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide
CID 25211295
N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 52507006
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 92717337
1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one
CID 66471641
N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 65191054
2-[(1S)-1-(2,3-dihydro-1-benzofuran-5-carbonylamino)ethyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 171389714
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 65312218
N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide
CID 52513082
N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 166519106
5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid
CID 82854914
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83288684
N-[(1S,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 97237214

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 131932437) is N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide is CC(NC(=O)c1ccc2c(c1)CCO2)c1nc(-c2ccncc2)no1.
What is the InChIKey of N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is AOCPWUSWHFUTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-11(18-21-16(22-25-18)12-4-7-19-8-5-12)20-17(23)14-2-3-15-13(10-14)6-9-24-15/h2-5,7-8,10-11H,6,9H2,1H3,(H,20,23).
What are the key properties of N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 131932437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).