(1S)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)ethanol

C18H24FN3O2 — CID 95311967

IUPAC(1S)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)ethanol
SMILESCc1nc(CN2CCN(C[C@@H](O)c3cccc(F)c3)CC2)oc1C
InChIInChI=1S/C18H24FN3O2/c1-13-14(2)24-18(20-13)12-22-8-6-21(7-9-22)11-17(23)15-4-3-5-16(19)10-15/h3-5,10,17,23H,6-9,11-12H2,1-2H3/t17-/m1/s1
InChIKeyFRYYTOPGBHUKFG-QGZVFWFLSA-N
MW333.41 g/mol
LogP2.28
Rot. Bonds5

About (1S)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)ethanol

(1S)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)ethanol (PubChem CID 95311967) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is (1S)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)ethanol
PubChem CID95311967
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name(1S)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)ethanol
SMILESCc1nc(CN2CCN(C[C@@H](O)c3cccc(F)c3)CC2)oc1C
InChIInChI=1S/C18H24FN3O2/c1-13-14(2)24-18(20-13)12-22-8-6-21(7-9-22)11-17(23)15-4-3-5-16(19)10-15/h3-5,10,17,23H,6-9,11-12H2,1-2H3/t17-/m1/s1
InChIKeyFRYYTOPGBHUKFG-QGZVFWFLSA-N
XLogP2.28
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)ethanol with MolForge

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Related Compounds

2-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-1-(3-fluorophenyl)ethanol
CID 56802599
(1R)-1-(3-fluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanol
CID 95582295
(2R)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95316342
(1S)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(3-fluorophenyl)ethanol
CID 94380549
tert-butyl 4-[2-(3-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 56771184
2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-1-(3-fluorophenyl)ethanol
CID 167893801
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 56819748
4-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-1,4-diazepan-2-one
CID 124733003
3-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 119877129
(1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95161589
[4-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 97044997
2-[4-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 94407142

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)ethanol?
The IUPAC name of (1S)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)ethanol (CID 95311967) is (1S)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for (1S)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)ethanol?
The canonical SMILES for (1S)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)ethanol is Cc1nc(CN2CCN(C[C@@H](O)c3cccc(F)c3)CC2)oc1C.
What is the InChIKey of (1S)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)ethanol?
The InChIKey is FRYYTOPGBHUKFG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-13-14(2)24-18(20-13)12-22-8-6-21(7-9-22)11-17(23)15-4-3-5-16(19)10-15/h3-5,10,17,23H,6-9,11-12H2,1-2H3/t17-/m1/s1.
What are the key properties of (1S)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)ethanol?
(1S)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)ethanol has a molecular weight of 333.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 95311967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).