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

C18H26N2O2 — CID 97253496

IUPAC3-[(2R)-1-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpyrrolidin-2-yl]propan-1-ol
SMILESC[C@]1(CCCO)CCCN1CCCc1nc2ccccc2o1
InChIInChI=1S/C18H26N2O2/c1-18(11-6-14-21)10-5-13-20(18)12-4-9-17-19-15-7-2-3-8-16(15)22-17/h2-3,7-8,21H,4-6,9-14H2,1H3/t18-/m1/s1
InChIKeyAWIOUDUAJVVFAP-GOSISDBHSA-N
MW302.42 g/mol
LogP3.39
Rot. Bonds7

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

3-[(2R)-1-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpyrrolidin-2-yl]propan-1-ol (PubChem CID 97253496) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-[(2R)-1-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2R)-1-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpyrrolidin-2-yl]propan-1-ol
PubChem CID97253496
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-[(2R)-1-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpyrrolidin-2-yl]propan-1-ol
SMILESC[C@]1(CCCO)CCCN1CCCc1nc2ccccc2o1
InChIInChI=1S/C18H26N2O2/c1-18(11-6-14-21)10-5-13-20(18)12-4-9-17-19-15-7-2-3-8-16(15)22-17/h2-3,7-8,21H,4-6,9-14H2,1H3/t18-/m1/s1
InChIKeyAWIOUDUAJVVFAP-GOSISDBHSA-N
XLogP3.39
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2R)-1-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpyrrolidin-2-yl]propan-1-ol with MolForge

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Related Compounds

2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole
CID 139877726
2-[1-[3-(1,3-benzoxazol-2-yl)propyl]piperidin-2-yl]ethanol
CID 111111640
2-[3-(4-methylpiperidin-1-yl)propyl]-1,3-benzoxazole
CID 22989639
(2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol
CID 95309136
2-pentyl-1,3-benzoxazole
CID 23425
2-[3-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]propyl]-1,3-benzoxazole;hydroiodide
CID 126770961
2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,3-benzoxazole
CID 90644065
3-[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 62467617
2-[3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]-1,3-benzoxazole
CID 95609732
(2R)-1-[(2R)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 95978172
(2R)-1-[(2S)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 95978173
2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole
CID 126788904

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[(2R)-1-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpyrrolidin-2-yl]propan-1-ol (CID 97253496) is 3-[(2R)-1-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2R)-1-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2R)-1-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpyrrolidin-2-yl]propan-1-ol is C[C@]1(CCCO)CCCN1CCCc1nc2ccccc2o1.
What is the InChIKey of 3-[(2R)-1-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpyrrolidin-2-yl]propan-1-ol?
The InChIKey is AWIOUDUAJVVFAP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-18(11-6-14-21)10-5-13-20(18)12-4-9-17-19-15-7-2-3-8-16(15)22-17/h2-3,7-8,21H,4-6,9-14H2,1H3/t18-/m1/s1.
What are the key properties of 3-[(2R)-1-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpyrrolidin-2-yl]propan-1-ol?
3-[(2R)-1-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpyrrolidin-2-yl]propan-1-ol has a molecular weight of 302.42 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 97253496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).