3,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one

C23H25N3O3 — CID 42566495

IUPAC3,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one
SMILESCc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCNC(=O)C1(C)C
InChIInChI=1S/C23H25N3O3/c1-16-20(15-26-13-12-24-22(27)23(26,2)3)25-21(28-16)17-8-7-11-19(14-17)29-18-9-5-4-6-10-18/h4-11,14H,12-13,15H2,1-3H3,(H,24,27)
InChIKeyNJWHVXWYBZAREU-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.15
Rot. Bonds5

About 3,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one

3,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one (PubChem CID 42566495) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one
PubChem CID42566495
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one
SMILESCc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCNC(=O)C1(C)C
InChIInChI=1S/C23H25N3O3/c1-16-20(15-26-13-12-24-22(27)23(26,2)3)25-21(28-16)17-8-7-11-19(14-17)29-18-9-5-4-6-10-18/h4-11,14H,12-13,15H2,1-3H3,(H,24,27)
InChIKeyNJWHVXWYBZAREU-UHFFFAOYSA-N
XLogP4.15
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole
CID 26329784
(3R)-N,N-dimethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
CID 95885384
N-ethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide
CID 70760923
1-[[(3R)-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
CID 28685190
4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one
CID 126770287
4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 56760665
(4aS,7aS)-6-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
CID 122570370
1-(4-acetylpiperazin-1-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 110355555
4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine
CID 30851824
2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid
CID 22087544
2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone
CID 110354510
4-[(3-bromophenyl)methyl]-3,3-dimethylpiperazin-2-one
CID 63607709

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one (CID 42566495) is 3,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one is Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCNC(=O)C1(C)C.
What is the InChIKey of 3,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one?
The InChIKey is NJWHVXWYBZAREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-20(15-26-13-12-24-22(27)23(26,2)3)25-21(28-16)17-8-7-11-19(14-17)29-18-9-5-4-6-10-18/h4-11,14H,12-13,15H2,1-3H3,(H,24,27).
What are the key properties of 3,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one?
3,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one has a molecular weight of 391.47 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one is sourced from PubChem (CID 42566495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).