4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole

C10H16N2O — CID 82408859

IUPAC4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole
SMILESCC(C)c1cnoc1C1CCNC1
InChIInChI=1S/C10H16N2O/c1-7(2)9-6-12-13-10(9)8-3-4-11-5-8/h6-8,11H,3-5H2,1-2H3
InChIKeyKPADCGRSIFZOFZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.87
Rot. Bonds2

About 4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole

4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole (PubChem CID 82408859) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole
PubChem CID82408859
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole
SMILESCC(C)c1cnoc1C1CCNC1
InChIInChI=1S/C10H16N2O/c1-7(2)9-6-12-13-10(9)8-3-4-11-5-8/h6-8,11H,3-5H2,1-2H3
InChIKeyKPADCGRSIFZOFZ-UHFFFAOYSA-N
XLogP1.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-5-pyrrolidin-3-yl-1,2-oxazole
CID 82414141
4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol
CID 115037744
4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole
CID 115036740
4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003871
5-pyrrolidin-3-yl-1,2-oxazole
CID 53429261
5-[(3S)-pyrrolidin-3-yl]-1,2-oxazole
CID 96537345
(3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 96623523
3-methyl-5-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole
CID 95857102
4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003500
4-cyclopentyl-5-piperidin-4-yl-1,2-oxazole
CID 115032274
5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 54573513
4-(5-piperidin-4-yl-1,2-oxazol-4-yl)phenol
CID 115053947

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole?
The IUPAC name of 4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole (CID 82408859) is 4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole.
What is the SMILES notation for 4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole?
The canonical SMILES for 4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole is CC(C)c1cnoc1C1CCNC1.
What is the InChIKey of 4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole?
The InChIKey is KPADCGRSIFZOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)9-6-12-13-10(9)8-3-4-11-5-8/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole?
4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole has a molecular weight of 180.25 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 4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole is sourced from PubChem (CID 82408859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).