1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol

C10H16N2O2 — CID 56828639

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCc1noc(C)c1CN1CCC(O)C1
InChIInChI=1S/C10H16N2O2/c1-7-10(8(2)14-11-7)6-12-4-3-9(13)5-12/h9,13H,3-6H2,1-2H3
InChIKeyQVGOBBYEJPGDAT-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.86
Rot. Bonds2

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 56828639) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
PubChem CID56828639
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCc1noc(C)c1CN1CCC(O)C1
InChIInChI=1S/C10H16N2O2/c1-7-10(8(2)14-11-7)6-12-4-3-9(13)5-12/h9,13H,3-6H2,1-2H3
InChIKeyQVGOBBYEJPGDAT-UHFFFAOYSA-N
XLogP0.86
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpiperidin-4-ol
CID 114511165
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 94382598
(3R,4R)-4-(cyclopentylamino)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-ol
CID 118781597
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907958
(2S,3aS,7aS)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369431
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-3-carbaldehyde
CID 62654932
1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 62917538
(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 111123110
5-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 94207638
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925596
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylacetamide
CID 171146257
3,5-dimethyl-4-[[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 121184804

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol (CID 56828639) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol is Cc1noc(C)c1CN1CCC(O)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is QVGOBBYEJPGDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7-10(8(2)14-11-7)6-12-4-3-9(13)5-12/h9,13H,3-6H2,1-2H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 196.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 56828639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).