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

C14H15BrN2O2 — CID 175876839

IUPAC1-[[5-(3-bromophenyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2cc(-c3cccc(Br)c3)on2)C1
InChIInChI=1S/C14H15BrN2O2/c15-11-3-1-2-10(6-11)14-7-12(16-19-14)8-17-5-4-13(18)9-17/h1-3,6-7,13,18H,4-5,8-9H2
InChIKeySMFUNBSYBMHCPC-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.67
Rot. Bonds3

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

1-[[5-(3-bromophenyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-ol (PubChem CID 175876839) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 1-[[5-(3-bromophenyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[5-(3-bromophenyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-ol
PubChem CID175876839
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name1-[[5-(3-bromophenyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2cc(-c3cccc(Br)c3)on2)C1
InChIInChI=1S/C14H15BrN2O2/c15-11-3-1-2-10(6-11)14-7-12(16-19-14)8-17-5-4-13(18)9-17/h1-3,6-7,13,18H,4-5,8-9H2
InChIKeySMFUNBSYBMHCPC-UHFFFAOYSA-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

(3R)-1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 78963343
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol
CID 33186793
5-(3-chlorophenyl)-3-[(3-cyclopropylpyrrolidin-1-yl)methyl]-1,2-oxazole
CID 167763884
1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 62917538
1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 47473957
(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol
CID 78963265
(3S)-1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3-carboxamide
CID 97185843
N-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
CID 120966206
1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 106837511
1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol
CID 63092006
(3R)-1-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-ol
CID 131002661
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119907162

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-bromophenyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[5-(3-bromophenyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-ol (CID 175876839) is 1-[[5-(3-bromophenyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[5-(3-bromophenyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[5-(3-bromophenyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-ol is OC1CCN(Cc2cc(-c3cccc(Br)c3)on2)C1.
What is the InChIKey of 1-[[5-(3-bromophenyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-ol?
The InChIKey is SMFUNBSYBMHCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-11-3-1-2-10(6-11)14-7-12(16-19-14)8-17-5-4-13(18)9-17/h1-3,6-7,13,18H,4-5,8-9H2.
What are the key properties of 1-[[5-(3-bromophenyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-ol?
1-[[5-(3-bromophenyl)-1,2-oxazol-3-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 1-[[5-(3-bromophenyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 175876839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).