(2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol

C17H25N3O2 — CID 95309136

IUPAC(2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(CCCc2nc3ccccc3o2)CC1
InChIInChI=1S/C17H25N3O2/c1-14(21)13-20-11-9-19(10-12-20)8-4-7-17-18-15-5-2-3-6-16(15)22-17/h2-3,5-6,14,21H,4,7-13H2,1H3/t14-/m1/s1
InChIKeyACOAWIUWGFJRDW-CQSZACIVSA-N
MW303.41 g/mol
LogP1.76
Rot. Bonds6

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

(2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol (PubChem CID 95309136) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol
PubChem CID95309136
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(CCCc2nc3ccccc3o2)CC1
InChIInChI=1S/C17H25N3O2/c1-14(21)13-20-11-9-19(10-12-20)8-4-7-17-18-15-5-2-3-6-16(15)22-17/h2-3,5-6,14,21H,4,7-13H2,1H3/t14-/m1/s1
InChIKeyACOAWIUWGFJRDW-CQSZACIVSA-N
XLogP1.76
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole
CID 139877726
2-[3-(4-methylpiperidin-1-yl)propyl]-1,3-benzoxazole
CID 22989639
2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,3-benzoxazole
CID 90644065
(2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol
CID 95766493
2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole
CID 126788904
2-[3-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]propyl]-1,3-benzoxazole
CID 126779619
2-[3-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]propyl]-1,3-benzoxazole;hydroiodide
CID 126770961
2-pentyl-1,3-benzoxazole
CID 23425
3-[(2R)-1-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpyrrolidin-2-yl]propan-1-ol
CID 97253496
methyl (2S,6R)-4-[3-(1,3-benzoxazol-2-yl)propyl]-6-methylmorpholine-2-carboxylate
CID 97064905

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol (CID 95309136) is (2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol is C[C@@H](O)CN1CCN(CCCc2nc3ccccc3o2)CC1.
What is the InChIKey of (2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol?
The InChIKey is ACOAWIUWGFJRDW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-14(21)13-20-11-9-19(10-12-20)8-4-7-17-18-15-5-2-3-6-16(15)22-17/h2-3,5-6,14,21H,4,7-13H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol?
(2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol has a molecular weight of 303.41 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95309136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).