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

C18H22FN3O2 — CID 126780324

IUPAC4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1C(=O)NCCN1Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H22FN3O2/c1-12(2)9-15-18(23)20-7-8-22(15)11-17-21-10-16(24-17)13-3-5-14(19)6-4-13/h3-6,10,12,15H,7-9,11H2,1-2H3,(H,20,23)
InChIKeyDNHVCGNAPAJDNI-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.83
Rot. Bonds5

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

4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)piperazin-2-one (PubChem CID 126780324) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)piperazin-2-one
PubChem CID126780324
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1C(=O)NCCN1Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H22FN3O2/c1-12(2)9-15-18(23)20-7-8-22(15)11-17-21-10-16(24-17)13-3-5-14(19)6-4-13/h3-6,10,12,15H,7-9,11H2,1-2H3,(H,20,23)
InChIKeyDNHVCGNAPAJDNI-UHFFFAOYSA-N
XLogP2.83
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 95569830
3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one
CID 126784426
4-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-methylpropyl)piperazin-2-one
CID 67226198
(2R)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 95602167
(2S)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 98763700
1-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 56778692
2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole;hydrochloride
CID 120756268
4-[(1-methylimidazol-4-yl)methyl]-3-(2-methylpropyl)-1,4-diazepan-2-one
CID 138032845
(3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one
CID 124846522
5-(4-fluorophenyl)-2-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 95349673
methyl 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-oxopiperazin-2-yl]acetate
CID 47027259
3-(2-methylpropyl)-4-(piperidin-4-ylmethyl)piperazin-2-one
CID 120849320

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)piperazin-2-one (CID 126780324) is 4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)piperazin-2-one is CC(C)CC1C(=O)NCCN1Cc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of 4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)piperazin-2-one?
The InChIKey is DNHVCGNAPAJDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-12(2)9-15-18(23)20-7-8-22(15)11-17-21-10-16(24-17)13-3-5-14(19)6-4-13/h3-6,10,12,15H,7-9,11H2,1-2H3,(H,20,23).
What are the key properties of 4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)piperazin-2-one?
4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)piperazin-2-one has a molecular weight of 331.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 126780324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).