3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole

C13H14N2O — CID 10242348

IUPAC3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole
SMILESc1ccc(-c2cc([C@@H]3CCCN3)on2)cc1
InChIInChI=1S/C13H14N2O/c1-2-5-10(6-3-1)12-9-13(16-15-12)11-7-4-8-14-11/h1-3,5-6,9,11,14H,4,7-8H2/t11-/m0/s1
InChIKeyLCURYJMHRCNAOP-NSHDSACASA-N
MW214.27 g/mol
LogP2.77
Rot. Bonds2

About 3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole

3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 10242348) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole
PubChem CID10242348
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole
SMILESc1ccc(-c2cc([C@@H]3CCCN3)on2)cc1
InChIInChI=1S/C13H14N2O/c1-2-5-10(6-3-1)12-9-13(16-15-12)11-7-4-8-14-11/h1-3,5-6,9,11,14H,4,7-8H2/t11-/m0/s1
InChIKeyLCURYJMHRCNAOP-NSHDSACASA-N
XLogP2.77
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
CID 69491718
3-phenyl-5-piperidin-4-yl-1,2-oxazole
CID 59732015
3-(2-methyl-3-pyridinyl)-5-pyrrolidin-2-yl-1,2-oxazole
CID 68838963
5-pyrrolidin-2-yl-1,2-oxazol-3-amine
CID 115094046
N-methyl-3-(5-pyrrolidin-2-yl-1,2-oxazol-3-yl)pyridin-2-amine
CID 68843630
3-propan-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
CID 42575797
5-(1-methylpiperidin-4-yl)-3-phenyl-1,2-oxazole
CID 142020572
3-phenyl-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,2-oxazole
CID 56704921
2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole
CID 115028763
3-phenyl-2-pyrrolidin-2-ylpyridine
CID 115008660
5-(azetidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2-oxazole
CID 91302221
(2S)-N-(3-phenyl-1,2-oxazol-5-yl)piperidine-2-carboxamide
CID 58564068

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole (CID 10242348) is 3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole is c1ccc(-c2cc([C@@H]3CCCN3)on2)cc1.
What is the InChIKey of 3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is LCURYJMHRCNAOP-NSHDSACASA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-5-10(6-3-1)12-9-13(16-15-12)11-7-4-8-14-11/h1-3,5-6,9,11,14H,4,7-8H2/t11-/m0/s1.
What are the key properties of 3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole?
3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 214.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 10242348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).