2-[4-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide

C20H26F2N4O2 — CID 30733251

IUPAC2-[4-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1oc(-c2cc(F)ccc2F)nc1CN1CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C20H26F2N4O2/c1-13(2)23-19(27)12-26-8-6-25(7-9-26)11-18-14(3)28-20(24-18)16-10-15(21)4-5-17(16)22/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,23,27)
InChIKeyCROMWACUBVIZBF-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.57
Rot. Bonds6

About 2-[4-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 30733251) has the molecular formula C20H26F2N4O2 and a molecular weight of 392.45 g/mol. Its IUPAC name is 2-[4-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID30733251
Molecular FormulaC20H26F2N4O2
Molecular Weight392.45 g/mol
Exact Mass392.20
IUPAC Name2-[4-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1oc(-c2cc(F)ccc2F)nc1CN1CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C20H26F2N4O2/c1-13(2)23-19(27)12-26-8-6-25(7-9-26)11-18-14(3)28-20(24-18)16-10-15(21)4-5-17(16)22/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,23,27)
InChIKeyCROMWACUBVIZBF-UHFFFAOYSA-N
XLogP2.57
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 134045473
[1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42305853
[4-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 26396934
7-chloro-4-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 42216707
1-[4-[4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone
CID 42516733
4-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole
CID 53084878
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)-5-methyl-1,3-oxazole
CID 42094310
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 6619545
2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 114374746
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 1439429
ethyl 1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylate
CID 45195176
2-(3-chlorophenyl)-4-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084971

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 30733251) is 2-[4-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide is Cc1oc(-c2cc(F)ccc2F)nc1CN1CCN(CC(=O)NC(C)C)CC1.
What is the InChIKey of 2-[4-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is CROMWACUBVIZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O2/c1-13(2)23-19(27)12-26-8-6-25(7-9-26)11-18-14(3)28-20(24-18)16-10-15(21)4-5-17(16)22/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,23,27).
What are the key properties of 2-[4-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 392.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 30733251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).