[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

C21H25N3O4 — CID 72865582

IUPAC[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)no1
InChIInChI=1S/C21H25N3O4/c1-15-14-18(22-28-15)21(26)24-12-8-16(9-13-24)27-19-7-3-2-6-17(19)20(25)23-10-4-5-11-23/h2-3,6-7,14,16H,4-5,8-13H2,1H3
InChIKeyWHEBRHVWDQDCFD-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.90
Rot. Bonds4

About [2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 72865582) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is [2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
PubChem CID72865582
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)no1
InChIInChI=1S/C21H25N3O4/c1-15-14-18(22-28-15)21(26)24-12-8-16(9-13-24)27-19-7-3-2-6-17(19)20(25)23-10-4-5-11-23/h2-3,6-7,14,16H,4-5,8-13H2,1H3
InChIKeyWHEBRHVWDQDCFD-UHFFFAOYSA-N
XLogP2.90
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methoxyphenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 110328432
[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25293300
(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129476756
[2-[1-(cyclopentylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26405720
[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 110645702
[4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 75388459
(4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 80662471
[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25385116
1-[4-(2-cyclobutyloxybenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 75372240
2,5-dihydro-1H-pyrrol-2-yl-[4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]methanone
CID 72912789
piperidin-1-yl-[2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]oxyphenyl]methanone
CID 72846007

Frequently Asked Questions

What is the IUPAC name of [2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (CID 72865582) is [2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is Cc1cc(C(=O)N2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)no1.
What is the InChIKey of [2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is WHEBRHVWDQDCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-15-14-18(22-28-15)21(26)24-12-8-16(9-13-24)27-19-7-3-2-6-17(19)20(25)23-10-4-5-11-23/h2-3,6-7,14,16H,4-5,8-13H2,1H3.
What are the key properties of [2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 383.45 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 72865582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).