(2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol

C17H25N3O2 — CID 95766493

IUPAC(2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol
SMILESCC[C@@H]1CN(Cc2nc3ccccc3o2)CCN1C[C@@H](C)O
InChIInChI=1S/C17H25N3O2/c1-3-14-11-19(8-9-20(14)10-13(2)21)12-17-18-15-6-4-5-7-16(15)22-17/h4-7,13-14,21H,3,8-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyIVUWYJMOZCXOFV-ZIAGYGMSSA-N
MW303.41 g/mol
LogP2.10
Rot. Bonds5

About (2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol

(2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol (PubChem CID 95766493) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol
PubChem CID95766493
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol
SMILESCC[C@@H]1CN(Cc2nc3ccccc3o2)CCN1C[C@@H](C)O
InChIInChI=1S/C17H25N3O2/c1-3-14-11-19(8-9-20(14)10-13(2)21)12-17-18-15-6-4-5-7-16(15)22-17/h4-7,13-14,21H,3,8-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyIVUWYJMOZCXOFV-ZIAGYGMSSA-N
XLogP2.10
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-benzoxazole
CID 95333527
(2R)-1-[(2S)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 95978173
(2R)-1-[(2R)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 95978172
(2R)-1-[(2R)-4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 95612257
1-[4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 56802986
1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 71932952
(2S)-1-[(2S)-2-ethyl-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 98767261
(2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol
CID 95309136
2-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3-benzoxazole
CID 95351742
3-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]benzoic acid
CID 122029016
2-[(3-methylpiperazin-1-yl)methyl]-1,3-benzoxazole
CID 65449608
(2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95766588

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol (CID 95766493) is (2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol is CC[C@@H]1CN(Cc2nc3ccccc3o2)CCN1C[C@@H](C)O.
What is the InChIKey of (2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol?
The InChIKey is IVUWYJMOZCXOFV-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-14-11-19(8-9-20(14)10-13(2)21)12-17-18-15-6-4-5-7-16(15)22-17/h4-7,13-14,21H,3,8-12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol?
(2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol has a molecular weight of 303.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95766493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).