2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole

C8H12N2O — CID 82417113

IUPAC2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
SMILESCc1nc([C@@H]2CCCN2)co1
InChIInChI=1S/C8H12N2O/c1-6-10-8(5-11-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3/t7-/m0/s1
InChIKeySFSIAVWMSQKZMW-ZETCQYMHSA-N
MW152.20 g/mol
LogP1.41
Rot. Bonds1

About 2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole

2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole (PubChem CID 82417113) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
PubChem CID82417113
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
SMILESCc1nc([C@@H]2CCCN2)co1
InChIInChI=1S/C8H12N2O/c1-6-10-8(5-11-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3/t7-/m0/s1
InChIKeySFSIAVWMSQKZMW-ZETCQYMHSA-N
XLogP1.41
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.41
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
(4-pyrrolidin-2-yl-1,3-oxazol-2-yl)methanamine
CID 115013285
2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole
CID 115028763
2-(5-methylfuran-3-yl)pyrrolidine
CID 82594860
2,3-dimethyl-6-piperidin-2-ylpyridine
CID 84662827
4-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 83858445
4-(1-methylpiperidin-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole
CID 115040976
4-propan-2-yl-2-pyrrolidin-2-yl-1,3-oxazole
CID 86276569
3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 136589176
N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
CID 112704147
(2R)-2-(3-methylfuran-2-yl)pyrrolidine
CID 96733783
(2S)-2-(4-methylfuran-3-yl)pyrrolidine
CID 96733805

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole?
The IUPAC name of 2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole (CID 82417113) is 2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole is Cc1nc([C@@H]2CCCN2)co1.
What is the InChIKey of 2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole?
The InChIKey is SFSIAVWMSQKZMW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-10-8(5-11-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3/t7-/m0/s1.
What are the key properties of 2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole?
2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole has a molecular weight of 152.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 82417113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).