(3,7-dimethyl-1-benzofuran-2-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

C19H21N3O3 — CID 95734280

IUPAC(3,7-dimethyl-1-benzofuran-2-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1nc([C@H]2CCCN(C(=O)c3oc4c(C)cccc4c3C)C2)no1
InChIInChI=1S/C19H21N3O3/c1-11-6-4-8-15-12(2)17(24-16(11)15)19(23)22-9-5-7-14(10-22)18-20-13(3)25-21-18/h4,6,8,14H,5,7,9-10H2,1-3H3/t14-/m0/s1
InChIKeyCNHBZPOHRWIUSL-AWEZNQCLSA-N
MW339.39 g/mol
LogP3.76
Rot. Bonds2

About (3,7-dimethyl-1-benzofuran-2-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

(3,7-dimethyl-1-benzofuran-2-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 95734280) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is (3,7-dimethyl-1-benzofuran-2-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,7-dimethyl-1-benzofuran-2-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID95734280
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name(3,7-dimethyl-1-benzofuran-2-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1nc([C@H]2CCCN(C(=O)c3oc4c(C)cccc4c3C)C2)no1
InChIInChI=1S/C19H21N3O3/c1-11-6-4-8-15-12(2)17(24-16(11)15)19(23)22-9-5-7-14(10-22)18-20-13(3)25-21-18/h4,6,8,14H,5,7,9-10H2,1-3H3/t14-/m0/s1
InChIKeyCNHBZPOHRWIUSL-AWEZNQCLSA-N
XLogP3.76
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromofuran-2-yl)-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734556
2-(3-methylindol-1-yl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 95734212
(2-methylfuran-3-yl)-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734449
1,3-benzodioxol-4-yl-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734307
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734524
[4-(5-methylfuran-2-yl)phenyl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118793305
N-(2-aminoethyl)-1-(3,7-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide
CID 119482356
2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 124697653
(3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119563968
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734855
(3-methylimidazo[1,5-a]pyridin-1-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95775907
2-hydroxy-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 110269368

Frequently Asked Questions

What is the IUPAC name of (3,7-dimethyl-1-benzofuran-2-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,7-dimethyl-1-benzofuran-2-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 95734280) is (3,7-dimethyl-1-benzofuran-2-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,7-dimethyl-1-benzofuran-2-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,7-dimethyl-1-benzofuran-2-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is Cc1nc([C@H]2CCCN(C(=O)c3oc4c(C)cccc4c3C)C2)no1.
What is the InChIKey of (3,7-dimethyl-1-benzofuran-2-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is CNHBZPOHRWIUSL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-11-6-4-8-15-12(2)17(24-16(11)15)19(23)22-9-5-7-14(10-22)18-20-13(3)25-21-18/h4,6,8,14H,5,7,9-10H2,1-3H3/t14-/m0/s1.
What are the key properties of (3,7-dimethyl-1-benzofuran-2-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
(3,7-dimethyl-1-benzofuran-2-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 339.39 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,7-dimethyl-1-benzofuran-2-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95734280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).