[2-[[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone

C22H27N3O4 — CID 163339997

IUPAC[2-[[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCC(COc3ccccc3C(=O)N3CCCC3)C2)on1
InChIInChI=1S/C22H27N3O4/c1-16-13-20(29-23-16)22(27)25-12-6-7-17(14-25)15-28-19-9-3-2-8-18(19)21(26)24-10-4-5-11-24/h2-3,8-9,13,17H,4-7,10-12,14-15H2,1H3
InChIKeyDLISZFKZGIXNPT-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.15
Rot. Bonds5

About [2-[[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone

[2-[[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 163339997) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is [2-[[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID163339997
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name[2-[[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCC(COc3ccccc3C(=O)N3CCCC3)C2)on1
InChIInChI=1S/C22H27N3O4/c1-16-13-20(29-23-16)22(27)25-12-6-7-17(14-25)15-28-19-9-3-2-8-18(19)21(26)24-10-4-5-11-24/h2-3,8-9,13,17H,4-7,10-12,14-15H2,1H3
InChIKeyDLISZFKZGIXNPT-UHFFFAOYSA-N
XLogP3.15
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[2-[[1-(1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 163339689
furan-3-yl-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 163339996
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone
CID 138385868
2-phenoxy-1-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 163339664
3-[(3R)-1-[2-(cyclopropylmethoxy)benzoyl]piperidin-3-yl]propanoic acid
CID 129415483
(3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 63392780
[3-(2-chloroethyl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 63395748
[3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone
CID 110886796
[3-[[1-(2-methylbenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50847103
methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate
CID 78919045
3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide
CID 35277906
N-[(3S)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]benzenesulfonamide
CID 95297567

Frequently Asked Questions

What is the IUPAC name of [2-[[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone (CID 163339997) is [2-[[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone is Cc1cc(C(=O)N2CCCC(COc3ccccc3C(=O)N3CCCC3)C2)on1.
What is the InChIKey of [2-[[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is DLISZFKZGIXNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-16-13-20(29-23-16)22(27)25-12-6-7-17(14-25)15-28-19-9-3-2-8-18(19)21(26)24-10-4-5-11-24/h2-3,8-9,13,17H,4-7,10-12,14-15H2,1H3.
What are the key properties of [2-[[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
[2-[[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 397.48 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 163339997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).