5-methyl-3-[(2R)-2-(phenylmethoxymethyl)piperazin-1-yl]-1,2-oxazole

C16H21N3O2 — CID 71121325

IUPAC5-methyl-3-[(2R)-2-(phenylmethoxymethyl)piperazin-1-yl]-1,2-oxazole
SMILESCc1cc(N2CCNC[C@@H]2COCc2ccccc2)no1
InChIInChI=1S/C16H21N3O2/c1-13-9-16(18-21-13)19-8-7-17-10-15(19)12-20-11-14-5-3-2-4-6-14/h2-6,9,15,17H,7-8,10-12H2,1H3/t15-/m1/s1
InChIKeyBJPGTHXBLLQLDJ-OAHLLOKOSA-N
MW287.36 g/mol
LogP1.98
Rot. Bonds5

About 5-methyl-3-[(2R)-2-(phenylmethoxymethyl)piperazin-1-yl]-1,2-oxazole

5-methyl-3-[(2R)-2-(phenylmethoxymethyl)piperazin-1-yl]-1,2-oxazole (PubChem CID 71121325) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-methyl-3-[(2R)-2-(phenylmethoxymethyl)piperazin-1-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[(2R)-2-(phenylmethoxymethyl)piperazin-1-yl]-1,2-oxazole
PubChem CID71121325
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-methyl-3-[(2R)-2-(phenylmethoxymethyl)piperazin-1-yl]-1,2-oxazole
SMILESCc1cc(N2CCNC[C@@H]2COCc2ccccc2)no1
InChIInChI=1S/C16H21N3O2/c1-13-9-16(18-21-13)19-8-7-17-10-15(19)12-20-11-14-5-3-2-4-6-14/h2-6,9,15,17H,7-8,10-12H2,1H3/t15-/m1/s1
InChIKeyBJPGTHXBLLQLDJ-OAHLLOKOSA-N
XLogP1.98
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-4-benzyl-1-(5-methyl-1,2-oxazol-3-yl)piperazin-2-yl]methanol
CID 59674842
2-[(4-phenylmethoxyphenoxy)methyl]-1-(4-propan-2-ylphenyl)piperazine;hydrochloride
CID 67087030
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
benzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate
CID 110645892
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
5-(2-benzylpiperazin-1-yl)-1,2-oxazole
CID 59674908
(2R)-2-methyl-1-[6-phenylmethoxy-4-(trifluoromethyl)-2-pyridinyl]piperazine
CID 69498014
3-[(2S)-4-benzyl-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;(2S)-1-[benzyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]ethyl]amino]-3-chloropropan-2-ol;N'-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2S)-oxiran-2-yl]methyl]ethane-1,2-diamine;[(2R)-4-benzyl-1-(5-methyl-1,2-oxazol-3-yl)piperazin-2-yl]methanol;3,5-bis(phenylmethoxy)piperidine;3-[(2S)-2-ethylpiperazin-1-yl]-5-methyl-1,2-oxazole;methanol
CID 159900340
(6R)-2-methyl-6-(phenylmethoxymethyl)morpholine
CID 68662666
1-(4-methoxyphenyl)-2-(phenoxymethyl)piperazine
CID 68843813
3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole;hydrochloride
CID 120758108
2-ethyl-1-pyridin-2-ylpiperazine
CID 63600435

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(2R)-2-(phenylmethoxymethyl)piperazin-1-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[(2R)-2-(phenylmethoxymethyl)piperazin-1-yl]-1,2-oxazole (CID 71121325) is 5-methyl-3-[(2R)-2-(phenylmethoxymethyl)piperazin-1-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[(2R)-2-(phenylmethoxymethyl)piperazin-1-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[(2R)-2-(phenylmethoxymethyl)piperazin-1-yl]-1,2-oxazole is Cc1cc(N2CCNC[C@@H]2COCc2ccccc2)no1.
What is the InChIKey of 5-methyl-3-[(2R)-2-(phenylmethoxymethyl)piperazin-1-yl]-1,2-oxazole?
The InChIKey is BJPGTHXBLLQLDJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13-9-16(18-21-13)19-8-7-17-10-15(19)12-20-11-14-5-3-2-4-6-14/h2-6,9,15,17H,7-8,10-12H2,1H3/t15-/m1/s1.
What are the key properties of 5-methyl-3-[(2R)-2-(phenylmethoxymethyl)piperazin-1-yl]-1,2-oxazole?
5-methyl-3-[(2R)-2-(phenylmethoxymethyl)piperazin-1-yl]-1,2-oxazole has a molecular weight of 287.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(2R)-2-(phenylmethoxymethyl)piperazin-1-yl]-1,2-oxazole is sourced from PubChem (CID 71121325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).