3-[[4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]phenol

C19H27N3O2 — CID 136562534

IUPAC3-[[4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]phenol
SMILESCC(C)(C)c1nc(CN2CCN(Cc3cccc(O)c3)CC2)co1
InChIInChI=1S/C19H27N3O2/c1-19(2,3)18-20-16(14-24-18)13-22-9-7-21(8-10-22)12-15-5-4-6-17(23)11-15/h4-6,11,14,23H,7-10,12-13H2,1-3H3
InChIKeyPFCCKVVFDZPYLE-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.00
Rot. Bonds4

About 3-[[4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]phenol

3-[[4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]phenol (PubChem CID 136562534) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-[[4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]phenol
PubChem CID136562534
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-[[4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]phenol
SMILESCC(C)(C)c1nc(CN2CCN(Cc3cccc(O)c3)CC2)co1
InChIInChI=1S/C19H27N3O2/c1-19(2,3)18-20-16(14-24-18)13-22-9-7-21(8-10-22)12-15-5-4-6-17(23)11-15/h4-6,11,14,23H,7-10,12-13H2,1-3H3
InChIKeyPFCCKVVFDZPYLE-UHFFFAOYSA-N
XLogP3.00
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]phenol with MolForge

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Related Compounds

3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 166193246
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 82187897
4-[[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole
CID 56906436
3-[[4-(2-bromoethyl)piperazin-1-yl]methyl]phenol
CID 80673903
3-[[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 46914618
4-[(3-hydroxyphenyl)methyl]-N-methylpiperazine-1-carbothioamide
CID 100570111
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol
CID 2838458
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
3-[[4-(2-methylsulfonylphenyl)piperazin-1-yl]methyl]phenol
CID 71996585
4-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]butanenitrile
CID 71866270
3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol
CID 82983068
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140032

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]phenol?
The IUPAC name of 3-[[4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]phenol (CID 136562534) is 3-[[4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]phenol is CC(C)(C)c1nc(CN2CCN(Cc3cccc(O)c3)CC2)co1.
What is the InChIKey of 3-[[4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]phenol?
The InChIKey is PFCCKVVFDZPYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-19(2,3)18-20-16(14-24-18)13-22-9-7-21(8-10-22)12-15-5-4-6-17(23)11-15/h4-6,11,14,23H,7-10,12-13H2,1-3H3.
What are the key properties of 3-[[4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]phenol?
3-[[4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]phenol has a molecular weight of 329.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 136562534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).