3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one

C19H25N3O3 — CID 124806662

IUPAC3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1noc([C@@H]2CCCN(C(=O)CCc3ccc([C@@H]4C[C@H]4C)o3)C2)n1
InChIInChI=1S/C19H25N3O3/c1-12-10-16(12)17-7-5-15(24-17)6-8-18(23)22-9-3-4-14(11-22)19-20-13(2)21-25-19/h5,7,12,14,16H,3-4,6,8-11H2,1-2H3/t12-,14-,16-/m1/s1
InChIKeyGNJHQFWMEUUKEU-XNRPHZJLSA-N
MW343.43 g/mol
LogP3.43
Rot. Bonds5

About 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one

3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 124806662) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID124806662
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1noc([C@@H]2CCCN(C(=O)CCc3ccc([C@@H]4C[C@H]4C)o3)C2)n1
InChIInChI=1S/C19H25N3O3/c1-12-10-16(12)17-7-5-15(24-17)6-8-18(23)22-9-3-4-14(11-22)19-20-13(2)21-25-19/h5,7,12,14,16H,3-4,6,8-11H2,1-2H3/t12-,14-,16-/m1/s1
InChIKeyGNJHQFWMEUUKEU-XNRPHZJLSA-N
XLogP3.43
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761439
1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95578538
3-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 56728032
N-[[(3R)-1-[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100854495
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one
CID 100843466
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 51120866
cis-(1R,2S)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131675
trans-(1S,2S)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131677
3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 94472444
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 118769589
3-(2,5-difluorophenyl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 129346179
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 71927931

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (CID 124806662) is 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is Cc1noc([C@@H]2CCCN(C(=O)CCc3ccc([C@@H]4C[C@H]4C)o3)C2)n1.
What is the InChIKey of 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is GNJHQFWMEUUKEU-XNRPHZJLSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12-10-16(12)17-7-5-15(24-17)6-8-18(23)22-9-3-4-14(11-22)19-20-13(2)21-25-19/h5,7,12,14,16H,3-4,6,8-11H2,1-2H3/t12-,14-,16-/m1/s1.
What are the key properties of 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 343.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124806662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).