[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone

C21H27N3O4 — CID 86908238

IUPAC[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
SMILESCc1cc(CN2CCN(C(=O)c3ccc(OCC4CCCO4)cc3)CC2)no1
InChIInChI=1S/C21H27N3O4/c1-16-13-18(22-28-16)14-23-8-10-24(11-9-23)21(25)17-4-6-19(7-5-17)27-15-20-3-2-12-26-20/h4-7,13,20H,2-3,8-12,14-15H2,1H3
InChIKeyZAOOSMZUNWHCBK-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.50
Rot. Bonds6

About [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone

[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone (PubChem CID 86908238) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
PubChem CID86908238
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
SMILESCc1cc(CN2CCN(C(=O)c3ccc(OCC4CCCO4)cc3)CC2)no1
InChIInChI=1S/C21H27N3O4/c1-16-13-18(22-28-16)14-23-8-10-24(11-9-23)21(25)17-4-6-19(7-5-17)27-15-20-3-2-12-26-20/h4-7,13,20H,2-3,8-12,14-15H2,1H3
InChIKeyZAOOSMZUNWHCBK-UHFFFAOYSA-N
XLogP2.50
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone 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

1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666
7-[[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 42920599
[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 97013755
(4-fluorophenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 110423049
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 3280482
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110646494
(2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 78774258
(3,4-dichlorophenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 110423059
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55494322
(3-ethoxy-4-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 86908243
[(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124699629
(2,2-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 97090718

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone?
The IUPAC name of [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone (CID 86908238) is [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone.
What is the SMILES notation for [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone?
The canonical SMILES for [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone is Cc1cc(CN2CCN(C(=O)c3ccc(OCC4CCCO4)cc3)CC2)no1.
What is the InChIKey of [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone?
The InChIKey is ZAOOSMZUNWHCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-16-13-18(22-28-16)14-23-8-10-24(11-9-23)21(25)17-4-6-19(7-5-17)27-15-20-3-2-12-26-20/h4-7,13,20H,2-3,8-12,14-15H2,1H3.
What are the key properties of [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone?
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone has a molecular weight of 385.46 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 86908238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).