[3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanol

C16H20ClN3O2 — CID 166308022

IUPAC[3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanol
SMILESCc1ccc(Cl)cc1N1CCN(Cc2cc(CO)on2)CC1
InChIInChI=1S/C16H20ClN3O2/c1-12-2-3-13(17)8-16(12)20-6-4-19(5-7-20)10-14-9-15(11-21)22-18-14/h2-3,8-9,21H,4-7,10-11H2,1H3
InChIKeyIFLPKGQMXYRUSI-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.45
Rot. Bonds4

About [3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanol

[3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanol (PubChem CID 166308022) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is [3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanol
PubChem CID166308022
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name[3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanol
SMILESCc1ccc(Cl)cc1N1CCN(Cc2cc(CO)on2)CC1
InChIInChI=1S/C16H20ClN3O2/c1-12-2-3-13(17)8-16(12)20-6-4-19(5-7-20)10-14-9-15(11-21)22-18-14/h2-3,8-9,21H,4-7,10-11H2,1H3
InChIKeyIFLPKGQMXYRUSI-UHFFFAOYSA-N
XLogP2.45
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanamine
CID 166305250
5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
CID 91844297
1-(5-chloro-2-methylphenyl)-4-(pyridin-4-ylmethyl)piperazine
CID 171130105
5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 9028953
1-(5-chloro-2-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine
CID 78845508
2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 8591039
methyl 5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]furan-2-carboxylate
CID 8591079
methyl 5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 8591071
1-[(1-benzyltetrazol-5-yl)methyl]-4-(5-chloro-2-methylphenyl)piperazine
CID 1446129
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
CID 6467861
1-(5-chloro-2-methylphenyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine
CID 78828337
5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]pentanenitrile
CID 78823634

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanol (CID 166308022) is [3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanol is Cc1ccc(Cl)cc1N1CCN(Cc2cc(CO)on2)CC1.
What is the InChIKey of [3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanol?
The InChIKey is IFLPKGQMXYRUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-12-2-3-13(17)8-16(12)20-6-4-19(5-7-20)10-14-9-15(11-21)22-18-14/h2-3,8-9,21H,4-7,10-11H2,1H3.
What are the key properties of [3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanol?
[3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanol has a molecular weight of 321.81 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 166308022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).