1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol

C16H18F2N2O2 — CID 56755911

IUPAC1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
SMILESCc1oc(-c2cc(F)cc(F)c2)nc1CN1CCCC(O)C1
InChIInChI=1S/C16H18F2N2O2/c1-10-15(9-20-4-2-3-14(21)8-20)19-16(22-10)11-5-12(17)7-13(18)6-11/h5-7,14,21H,2-4,8-9H2,1H3
InChIKeyXZUADXULCKXQRE-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.88
Rot. Bonds3

About 1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol

1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol (PubChem CID 56755911) has the molecular formula C16H18F2N2O2 and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
PubChem CID56755911
Molecular FormulaC16H18F2N2O2
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
SMILESCc1oc(-c2cc(F)cc(F)c2)nc1CN1CCCC(O)C1
InChIInChI=1S/C16H18F2N2O2/c1-10-15(9-20-4-2-3-14(21)8-20)19-16(22-10)11-5-12(17)7-13(18)6-11/h5-7,14,21H,2-4,8-9H2,1H3
InChIKeyXZUADXULCKXQRE-UHFFFAOYSA-N
XLogP2.88
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol
CID 110883667
(3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 95468992
2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 45212654
(3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 95210795
N-[1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]acetamide
CID 56743211
1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 56869440
(3R)-N,N-diethyl-1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 42214496
(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol
CID 107225646
(3S)-1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol
CID 107225975
2-(3,5-difluorophenyl)-5-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole
CID 30956715
[1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 24792954
2-(3,5-difluorophenyl)-4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 25385681

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol (CID 56755911) is 1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol is Cc1oc(-c2cc(F)cc(F)c2)nc1CN1CCCC(O)C1.
What is the InChIKey of 1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol?
The InChIKey is XZUADXULCKXQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2/c1-10-15(9-20-4-2-3-14(21)8-20)19-16(22-10)11-5-12(17)7-13(18)6-11/h5-7,14,21H,2-4,8-9H2,1H3.
What are the key properties of 1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol?
1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol has a molecular weight of 308.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 56755911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).