(3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol

C14H15BrN2O2 — CID 111462016

IUPAC(3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(Cc2ncc(-c3ccccc3Br)o2)C1
InChIInChI=1S/C14H15BrN2O2/c15-12-4-2-1-3-11(12)13-7-16-14(19-13)9-17-6-5-10(18)8-17/h1-4,7,10,18H,5-6,8-9H2/t10-/m0/s1
InChIKeyTUMBZHIAJRPESR-JTQLQIEISA-N
MW323.19 g/mol
LogP2.67
Rot. Bonds3

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

(3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol (PubChem CID 111462016) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is (3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
PubChem CID111462016
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name(3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(Cc2ncc(-c3ccccc3Br)o2)C1
InChIInChI=1S/C14H15BrN2O2/c15-12-4-2-1-3-11(12)13-7-16-14(19-13)9-17-6-5-10(18)8-17/h1-4,7,10,18H,5-6,8-9H2/t10-/m0/s1
InChIKeyTUMBZHIAJRPESR-JTQLQIEISA-N
XLogP2.67
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907746
(3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
CID 111123250
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 60669569
[5-(2-bromophenyl)-1,3-oxazol-2-yl]methanol
CID 115047212
(3R)-1-[[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 169101326
(3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol
CID 130576098
5-bromo-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyridin-2-one
CID 71873594
1-(3-aminopyrrolidin-1-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119482722
1-[(3R)-3-aminopiperidin-1-yl]-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 124593535
1-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine
CID 119920467
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol
CID 48631711
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-5-phenyl-1,3-oxazole;dihydrochloride
CID 119927342

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol (CID 111462016) is (3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol is O[C@H]1CCN(Cc2ncc(-c3ccccc3Br)o2)C1.
What is the InChIKey of (3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol?
The InChIKey is TUMBZHIAJRPESR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-12-4-2-1-3-11(12)13-7-16-14(19-13)9-17-6-5-10(18)8-17/h1-4,7,10,18H,5-6,8-9H2/t10-/m0/s1.
What are the key properties of (3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol?
(3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol has a molecular weight of 323.19 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 111462016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).