5-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole

C14H17N3O — CID 114186803

IUPAC5-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESc1ccc(C2CN(Cc3ccno3)CCN2)cc1
InChIInChI=1S/C14H17N3O/c1-2-4-12(5-3-1)14-11-17(9-8-15-14)10-13-6-7-16-18-13/h1-7,14-15H,8-11H2
InChIKeyQITBTQNFEOXWJU-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.82
Rot. Bonds3

About 5-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole

5-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole (PubChem CID 114186803) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
PubChem CID114186803
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESc1ccc(C2CN(Cc3ccno3)CCN2)cc1
InChIInChI=1S/C14H17N3O/c1-2-4-12(5-3-1)14-11-17(9-8-15-14)10-13-6-7-16-18-13/h1-7,14-15H,8-11H2
InChIKeyQITBTQNFEOXWJU-UHFFFAOYSA-N
XLogP1.82
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-benzyl-3-phenylpiperazine
CID 51910764
3,5-dimethyl-4-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 79238201
3-[(3-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408712
5-ethyl-3-[[(3S)-3-phenylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 124757385
1-(2,2-difluoroethyl)-3-phenylpiperazine
CID 64834472
1-[(2,5-difluorophenyl)methyl]-3-phenylpiperazine
CID 64832271
3-phenyl-1-(pyridin-4-ylmethyl)-1,4-diazepane
CID 64857270
1-[(5-bromothiophen-3-yl)methyl]-3-phenylpiperazine
CID 166432752
1-[(3-chloro-2-fluorophenyl)methyl]-3-phenylpiperazine
CID 102862405
1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine
CID 107901367
1-[(5-bromothiophen-2-yl)methyl]-3-phenyl-1,4-diazepane
CID 64857076
1-chloro-3-phenylpiperazine
CID 18428014

Frequently Asked Questions

What is the IUPAC name of 5-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole (CID 114186803) is 5-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole is c1ccc(C2CN(Cc3ccno3)CCN2)cc1.
What is the InChIKey of 5-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole?
The InChIKey is QITBTQNFEOXWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-4-12(5-3-1)14-11-17(9-8-15-14)10-13-6-7-16-18-13/h1-7,14-15H,8-11H2.
What are the key properties of 5-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole?
5-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole has a molecular weight of 243.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 114186803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).