[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone

C22H31N3O3 — CID 92605819

IUPAC[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
SMILESCc1noc(C)c1Cc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCCC2)o1
InChIInChI=1S/C22H31N3O3/c1-16-20(17(2)28-23-16)15-19-8-9-21(27-19)22(26)25-13-4-3-7-18(25)10-14-24-11-5-6-12-24/h8-9,18H,3-7,10-15H2,1-2H3/t18-/m1/s1
InChIKeyORXWJTBGOHDOEM-GOSISDBHSA-N
MW385.51 g/mol
LogP3.96
Rot. Bonds6

About [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone

[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 92605819) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
PubChem CID92605819
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
SMILESCc1noc(C)c1Cc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCCC2)o1
InChIInChI=1S/C22H31N3O3/c1-16-20(17(2)28-23-16)15-19-8-9-21(27-19)22(26)25-13-4-3-7-18(25)10-14-24-11-5-6-12-24/h8-9,18H,3-7,10-15H2,1-2H3/t18-/m1/s1
InChIKeyORXWJTBGOHDOEM-GOSISDBHSA-N
XLogP3.96
TPSA62.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 46971380
(1S,11R)-2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201232
N-cyclooctyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide
CID 20966695
2-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214874
furan-2-yl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348367
3-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]propanoic acid
CID 129367512
[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 29348390
(2-methylphenyl)-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29339285
pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 95111669
(2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776068
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide
CID 95384675
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91796245

Frequently Asked Questions

What is the IUPAC name of [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone (CID 92605819) is [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone is Cc1noc(C)c1Cc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCCC2)o1.
What is the InChIKey of [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is ORXWJTBGOHDOEM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-16-20(17(2)28-23-16)15-19-8-9-21(27-19)22(26)25-13-4-3-7-18(25)10-14-24-11-5-6-12-24/h8-9,18H,3-7,10-15H2,1-2H3/t18-/m1/s1.
What are the key properties of [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 385.51 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 92605819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).