N-(2,3-dihydro-1-benzofuran-3-yl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide

C19H18N4O3 — CID 135110269

IUPACN-(2,3-dihydro-1-benzofuran-3-yl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESO=C(CCCc1nc(-c2cccnc2)no1)NC1COc2ccccc21
InChIInChI=1S/C19H18N4O3/c24-17(21-15-12-25-16-7-2-1-6-14(15)16)8-3-9-18-22-19(23-26-18)13-5-4-10-20-11-13/h1-2,4-7,10-11,15H,3,8-9,12H2,(H,21,24)
InChIKeyKLPCHSZWOFWFMC-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.70
Rot. Bonds6

About N-(2,3-dihydro-1-benzofuran-3-yl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide

N-(2,3-dihydro-1-benzofuran-3-yl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 135110269) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-yl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID135110269
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-yl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESO=C(CCCc1nc(-c2cccnc2)no1)NC1COc2ccccc21
InChIInChI=1S/C19H18N4O3/c24-17(21-15-12-25-16-7-2-1-6-14(15)16)8-3-9-18-22-19(23-26-18)13-5-4-10-20-11-13/h1-2,4-7,10-11,15H,3,8-9,12H2,(H,21,24)
InChIKeyKLPCHSZWOFWFMC-UHFFFAOYSA-N
XLogP2.70
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 41036701
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9159591
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9159599
4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 17101575
(3R)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97283179
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide
CID 24642203
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51729245
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 124864434
N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 91772443
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 142672377
4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]butan-1-one
CID 90647780

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 135110269) is N-(2,3-dihydro-1-benzofuran-3-yl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide is O=C(CCCc1nc(-c2cccnc2)no1)NC1COc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is KLPCHSZWOFWFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-17(21-15-12-25-16-7-2-1-6-14(15)16)8-3-9-18-22-19(23-26-18)13-5-4-10-20-11-13/h1-2,4-7,10-11,15H,3,8-9,12H2,(H,21,24).
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-(2,3-dihydro-1-benzofuran-3-yl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 350.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-yl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 135110269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).