(1R)-2-[(2S)-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol

C18H25N3O2 — CID 98761330

IUPAC(1R)-2-[(2S)-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol
SMILESCc1cc(CN2CCN(C[C@H](O)c3ccccc3)[C@@H](C)C2)on1
InChIInChI=1S/C18H25N3O2/c1-14-10-17(23-19-14)12-20-8-9-21(15(2)11-20)13-18(22)16-6-4-3-5-7-16/h3-7,10,15,18,22H,8-9,11-13H2,1-2H3/t15-,18-/m0/s1
InChIKeyQMBBEWHBSXJQNK-YJBOKZPZSA-N
MW315.42 g/mol
LogP2.22
Rot. Bonds5

About (1R)-2-[(2S)-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol

(1R)-2-[(2S)-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol (PubChem CID 98761330) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (1R)-2-[(2S)-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[(2S)-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol
PubChem CID98761330
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(1R)-2-[(2S)-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol
SMILESCc1cc(CN2CCN(C[C@H](O)c3ccccc3)[C@@H](C)C2)on1
InChIInChI=1S/C18H25N3O2/c1-14-10-17(23-19-14)12-20-8-9-21(15(2)11-20)13-18(22)16-6-4-3-5-7-16/h3-7,10,15,18,22H,8-9,11-13H2,1-2H3/t15-,18-/m0/s1
InChIKeyQMBBEWHBSXJQNK-YJBOKZPZSA-N
XLogP2.22
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2S)-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol?
The IUPAC name of (1R)-2-[(2S)-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol (CID 98761330) is (1R)-2-[(2S)-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[(2S)-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol?
The canonical SMILES for (1R)-2-[(2S)-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol is Cc1cc(CN2CCN(C[C@H](O)c3ccccc3)[C@@H](C)C2)on1.
What is the InChIKey of (1R)-2-[(2S)-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol?
The InChIKey is QMBBEWHBSXJQNK-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14-10-17(23-19-14)12-20-8-9-21(15(2)11-20)13-18(22)16-6-4-3-5-7-16/h3-7,10,15,18,22H,8-9,11-13H2,1-2H3/t15-,18-/m0/s1.
What are the key properties of (1R)-2-[(2S)-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol?
(1R)-2-[(2S)-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol has a molecular weight of 315.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2S)-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 98761330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).