2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole

C13H14N2O — CID 115028763

IUPAC2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole
SMILESc1ccc(-c2nc(C3CCCN3)co2)cc1
InChIInChI=1S/C13H14N2O/c1-2-5-10(6-3-1)13-15-12(9-16-13)11-7-4-8-14-11/h1-3,5-6,9,11,14H,4,7-8H2
InChIKeyJLNSVCGNVBYVHR-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.77
Rot. Bonds2

About 2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole

2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole (PubChem CID 115028763) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole
PubChem CID115028763
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole
SMILESc1ccc(-c2nc(C3CCCN3)co2)cc1
InChIInChI=1S/C13H14N2O/c1-2-5-10(6-3-1)13-15-12(9-16-13)11-7-4-8-14-11/h1-3,5-6,9,11,14H,4,7-8H2
InChIKeyJLNSVCGNVBYVHR-UHFFFAOYSA-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

2-(4-methylphenyl)-4-pyrrolidin-2-yl-1,3-oxazole
CID 115036775
2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
CID 82417113
4-(azetidin-3-yl)-2-phenyl-1,3-oxazole
CID 105452809
(4-pyrrolidin-2-yl-1,3-oxazol-2-yl)methanamine
CID 115013285
3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole
CID 10242348
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590
4-benzyl-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
CID 90058028
6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55274090
2-phenyl-3-pyrrolidin-2-ylcycloprop-2-en-1-one
CID 126482517
2-fluoro-6-[(2R)-pyrrolidin-2-yl]pyridine
CID 131118553
N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
CID 63643903
5-phenyl-2-pyrrolidin-2-yl-[1,3]thiazolo[5,4-b]pyridine;hydrochloride
CID 141180220

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole?
The IUPAC name of 2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole (CID 115028763) is 2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole.
What is the SMILES notation for 2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole?
The canonical SMILES for 2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole is c1ccc(-c2nc(C3CCCN3)co2)cc1.
What is the InChIKey of 2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole?
The InChIKey is JLNSVCGNVBYVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-5-10(6-3-1)13-15-12(9-16-13)11-7-4-8-14-11/h1-3,5-6,9,11,14H,4,7-8H2.
What are the key properties of 2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole?
2-phenyl-4-pyrrolidin-2-yl-1,3-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 2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole is sourced from PubChem (CID 115028763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).