5-methyl-3-(2-pyrrolidin-3-ylpropan-2-yl)-1,2-oxazole

C11H18N2O — CID 83907735

IUPAC5-methyl-3-(2-pyrrolidin-3-ylpropan-2-yl)-1,2-oxazole
SMILESCc1cc(C(C)(C)C2CCNC2)no1
InChIInChI=1S/C11H18N2O/c1-8-6-10(13-14-8)11(2,3)9-4-5-12-7-9/h6,9,12H,4-5,7H2,1-3H3
InChIKeyNLRKECCVWJVOFE-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.87
Rot. Bonds2

About 5-methyl-3-(2-pyrrolidin-3-ylpropan-2-yl)-1,2-oxazole

5-methyl-3-(2-pyrrolidin-3-ylpropan-2-yl)-1,2-oxazole (PubChem CID 83907735) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-methyl-3-(2-pyrrolidin-3-ylpropan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-(2-pyrrolidin-3-ylpropan-2-yl)-1,2-oxazole
PubChem CID83907735
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-methyl-3-(2-pyrrolidin-3-ylpropan-2-yl)-1,2-oxazole
SMILESCc1cc(C(C)(C)C2CCNC2)no1
InChIInChI=1S/C11H18N2O/c1-8-6-10(13-14-8)11(2,3)9-4-5-12-7-9/h6,9,12H,4-5,7H2,1-3H3
InChIKeyNLRKECCVWJVOFE-UHFFFAOYSA-N
XLogP1.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-(2-pyrrolidin-2-ylpropan-2-yl)-1,2-oxazole
CID 83907737
1,3-dimethyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole
CID 83909101
1-methyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole
CID 83907630
3-[2-(3-bromophenyl)propan-2-yl]pyrrolidine
CID 82625311
3-(3-methylphenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 83199420
3-[2-(oxan-4-yl)propan-2-yl]-1,2-oxazol-5-amine
CID 58297280
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-pyrrolidin-3-ylmethanesulfonamide
CID 63297663
1-(5-methyl-1,2-oxazol-3-yl)-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
CID 79685414
(3R)-3-(1,1-difluoroethyl)pyrrolidine
CID 154810011
1-pyrrolidin-3-yl-1-(1,3-thiazol-4-yl)ethanol
CID 130871256
5-methyl-3-(piperidin-4-yloxymethyl)-1,2-oxazole;hydrochloride
CID 164517810
1-(1-methylimidazol-2-yl)-1-pyrrolidin-3-ylethanol
CID 130787693

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-pyrrolidin-3-ylpropan-2-yl)-1,2-oxazole?
The IUPAC name of 5-methyl-3-(2-pyrrolidin-3-ylpropan-2-yl)-1,2-oxazole (CID 83907735) is 5-methyl-3-(2-pyrrolidin-3-ylpropan-2-yl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-(2-pyrrolidin-3-ylpropan-2-yl)-1,2-oxazole?
The canonical SMILES for 5-methyl-3-(2-pyrrolidin-3-ylpropan-2-yl)-1,2-oxazole is Cc1cc(C(C)(C)C2CCNC2)no1.
What is the InChIKey of 5-methyl-3-(2-pyrrolidin-3-ylpropan-2-yl)-1,2-oxazole?
The InChIKey is NLRKECCVWJVOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-6-10(13-14-8)11(2,3)9-4-5-12-7-9/h6,9,12H,4-5,7H2,1-3H3.
What are the key properties of 5-methyl-3-(2-pyrrolidin-3-ylpropan-2-yl)-1,2-oxazole?
5-methyl-3-(2-pyrrolidin-3-ylpropan-2-yl)-1,2-oxazole has a molecular weight of 194.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-pyrrolidin-3-ylpropan-2-yl)-1,2-oxazole is sourced from PubChem (CID 83907735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).