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

C16H20N2O2 — CID 94000959

IUPAC(1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol
SMILESCc1cc([C@@H]2CCCN2C[C@H](O)c2ccccc2)no1
InChIInChI=1S/C16H20N2O2/c1-12-10-14(17-20-12)15-8-5-9-18(15)11-16(19)13-6-3-2-4-7-13/h2-4,6-7,10,15-16,19H,5,8-9,11H2,1H3/t15-,16-/m0/s1
InChIKeyOUMPSPIBDLDRRK-HOTGVXAUSA-N
MW272.35 g/mol
LogP2.85
Rot. Bonds4

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

(1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol (PubChem CID 94000959) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol
PubChem CID94000959
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol
SMILESCc1cc([C@@H]2CCCN2C[C@H](O)c2ccccc2)no1
InChIInChI=1S/C16H20N2O2/c1-12-10-14(17-20-12)15-8-5-9-18(15)11-16(19)13-6-3-2-4-7-13/h2-4,6-7,10,15-16,19H,5,8-9,11H2,1H3/t15-,16-/m0/s1
InChIKeyOUMPSPIBDLDRRK-HOTGVXAUSA-N
XLogP2.85
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol?
The IUPAC name of (1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol (CID 94000959) is (1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol?
The canonical SMILES for (1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol is Cc1cc([C@@H]2CCCN2C[C@H](O)c2ccccc2)no1.
What is the InChIKey of (1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol?
The InChIKey is OUMPSPIBDLDRRK-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-10-14(17-20-12)15-8-5-9-18(15)11-16(19)13-6-3-2-4-7-13/h2-4,6-7,10,15-16,19H,5,8-9,11H2,1H3/t15-,16-/m0/s1.
What are the key properties of (1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol?
(1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol has a molecular weight of 272.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol is sourced from PubChem (CID 94000959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).