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

C7H10N2O — CID 96537345

IUPAC5-[(3S)-pyrrolidin-3-yl]-1,2-oxazole
SMILESc1cc([C@H]2CCNC2)on1
InChIInChI=1S/C7H10N2O/c1-3-8-5-6(1)7-2-4-9-10-7/h2,4,6,8H,1,3,5H2/t6-/m0/s1
InChIKeyZQCMJHCSXCMVNR-LURJTMIESA-N
MW138.17 g/mol
LogP0.75
Rot. Bonds1

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

5-[(3S)-pyrrolidin-3-yl]-1,2-oxazole (PubChem CID 96537345) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-[(3S)-pyrrolidin-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[(3S)-pyrrolidin-3-yl]-1,2-oxazole
PubChem CID96537345
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name5-[(3S)-pyrrolidin-3-yl]-1,2-oxazole
SMILESc1cc([C@H]2CCNC2)on1
InChIInChI=1S/C7H10N2O/c1-3-8-5-6(1)7-2-4-9-10-7/h2,4,6,8H,1,3,5H2/t6-/m0/s1
InChIKeyZQCMJHCSXCMVNR-LURJTMIESA-N
XLogP0.75
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-pyrrolidin-3-yl-1,2-oxazole
CID 53429261
CID 156632351
CID 156632351
5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 54573513
3-(5-methylfuran-2-yl)pyrrolidine
CID 62066693
3-pyrrolidin-3-ylpyridine
CID 3613651
4-ethyl-5-pyrrolidin-3-yl-1,2-oxazole
CID 82414141
4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole
CID 82408859
5-pyrrolidin-3-ylpyrimidine
CID 66996535
4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole
CID 115036740
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225
3-thiophen-3-ylpyrrolidine;hydrochloride
CID 169498224
ethane;3-phenylpyrrolidine
CID 91032726

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-pyrrolidin-3-yl]-1,2-oxazole?
The IUPAC name of 5-[(3S)-pyrrolidin-3-yl]-1,2-oxazole (CID 96537345) is 5-[(3S)-pyrrolidin-3-yl]-1,2-oxazole.
What is the SMILES notation for 5-[(3S)-pyrrolidin-3-yl]-1,2-oxazole?
The canonical SMILES for 5-[(3S)-pyrrolidin-3-yl]-1,2-oxazole is c1cc([C@H]2CCNC2)on1.
What is the InChIKey of 5-[(3S)-pyrrolidin-3-yl]-1,2-oxazole?
The InChIKey is ZQCMJHCSXCMVNR-LURJTMIESA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-8-5-6(1)7-2-4-9-10-7/h2,4,6,8H,1,3,5H2/t6-/m0/s1.
What are the key properties of 5-[(3S)-pyrrolidin-3-yl]-1,2-oxazole?
5-[(3S)-pyrrolidin-3-yl]-1,2-oxazole has a molecular weight of 138.17 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-pyrrolidin-3-yl]-1,2-oxazole is sourced from PubChem (CID 96537345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).