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

C8H12N2O — CID 10057702

IUPAC3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc([C@@H]2CCCN2)on1
InChIInChI=1S/C8H12N2O/c1-6-5-8(11-10-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3/t7-/m0/s1
InChIKeyPJMAXCRZQLWZFH-ZETCQYMHSA-N
MW152.20 g/mol
LogP1.41
Rot. Bonds1

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

3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 10057702) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole
PubChem CID10057702
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc([C@@H]2CCCN2)on1
InChIInChI=1S/C8H12N2O/c1-6-5-8(11-10-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3/t7-/m0/s1
InChIKeyPJMAXCRZQLWZFH-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

3-Methyl-5-(1-methyl-2(S)-pyrrolidinyl)isoxazole
CID 119380
Isoxazole, 3-methyl-5-((2R)-1-methyl-2-pyrrolidinyl)-
CID 9859069
3-ethyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole
CID 9989851
3-ethyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole
CID 10103768
(R)-3-Methyl-5-(pyrrolidin-2-yl)isoxazole
CID 10130056
(2S)-2-[3-Ethylisoxazol-5-yl]pyrrolidine
CID 10261449
(R)-3-Ethyl-5-(pyrrolidin-2-yl)isoxazole
CID 10352051
(3-Ethyl-1,2-oxazol-5-yl)methanamine
CID 6483891
ABT-418 hydrochloride
CID 10375597
3-Methyl-5-(pyrrolidin-2-yl)-1,2-oxazole
CID 15186065
5-Methyl-3-(pyrrolidin-2-yl)-1,2-oxazole
CID 25220780
3-butyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole
CID 44358877

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole (CID 10057702) is 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole is Cc1cc([C@@H]2CCCN2)on1.
What is the InChIKey of 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is PJMAXCRZQLWZFH-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-5-8(11-10-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3/t7-/m0/s1.
What are the key properties of 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole?
3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-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 3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 10057702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).