[4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,3-oxazol-2-ylamino)cyclohexyl]methanone

C20H25FN4O2 — CID 169419220

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,3-oxazol-2-ylamino)cyclohexyl]methanone
SMILESO=C(C1CCC(Nc2ncco2)CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H25FN4O2/c21-17-3-1-2-4-18(17)24-10-12-25(13-11-24)19(26)15-5-7-16(8-6-15)23-20-22-9-14-27-20/h1-4,9,14-16H,5-8,10-13H2,(H,22,23)
InChIKeyVDTNURUGIVDXFF-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.13
Rot. Bonds4

About [4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,3-oxazol-2-ylamino)cyclohexyl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,3-oxazol-2-ylamino)cyclohexyl]methanone (PubChem CID 169419220) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,3-oxazol-2-ylamino)cyclohexyl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,3-oxazol-2-ylamino)cyclohexyl]methanone
PubChem CID169419220
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,3-oxazol-2-ylamino)cyclohexyl]methanone
SMILESO=C(C1CCC(Nc2ncco2)CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H25FN4O2/c21-17-3-1-2-4-18(17)24-10-12-25(13-11-24)19(26)15-5-7-16(8-6-15)23-20-22-9-14-27-20/h1-4,9,14-16H,5-8,10-13H2,(H,22,23)
InChIKeyVDTNURUGIVDXFF-UHFFFAOYSA-N
XLogP3.13
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US11319299, Example 643
CID 164608198
(2S,4R)-4-fluoro-1-[2-(1,3-oxazol-2-ylamino)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165140044
(2S,4R)-N-[(S)-(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-ylamino)acetyl]pyrrolidine-2-carboxamide
CID 167188578
Methyl 4-[[4-fluoro-3-(1,3-oxazol-2-ylcarbamoylamino)phenyl]methyl]piperazine-1-carboxylate
CID 11581630
2,6-difluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 24831434
3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1,3-oxazol-2-yl)propanamide
CID 57461556
4-[[4-Fluoro-3-(1,3-oxazol-2-ylcarbamoylamino)phenyl]methyl]piperazine-1-carboxylic acid
CID 68547461
4-[[4-Fluoro-3-(1,3-oxazol-2-ylcarbamoylamino)phenyl]methyl]-2-methylpiperazine-1-carboxylic acid
CID 69333349
3-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]propanamide
CID 91196099
2-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]acetamide
CID 91264981
N-[4-fluoro-5-[1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138541717
N-[4-fluoro-5-[1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138542422

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,3-oxazol-2-ylamino)cyclohexyl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,3-oxazol-2-ylamino)cyclohexyl]methanone (CID 169419220) is [4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,3-oxazol-2-ylamino)cyclohexyl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,3-oxazol-2-ylamino)cyclohexyl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,3-oxazol-2-ylamino)cyclohexyl]methanone is O=C(C1CCC(Nc2ncco2)CC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,3-oxazol-2-ylamino)cyclohexyl]methanone?
The InChIKey is VDTNURUGIVDXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c21-17-3-1-2-4-18(17)24-10-12-25(13-11-24)19(26)15-5-7-16(8-6-15)23-20-22-9-14-27-20/h1-4,9,14-16H,5-8,10-13H2,(H,22,23).
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,3-oxazol-2-ylamino)cyclohexyl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,3-oxazol-2-ylamino)cyclohexyl]methanone has a molecular weight of 372.44 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[4-(1,3-oxazol-2-ylamino)cyclohexyl]methanone is sourced from PubChem (CID 169419220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).