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

C9H14N2O2 — CID 62917538

IUPAC1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(CN2CCC(O)C2)no1
InChIInChI=1S/C9H14N2O2/c1-7-4-8(10-13-7)5-11-3-2-9(12)6-11/h4,9,12H,2-3,5-6H2,1H3
InChIKeyHLNYVVVUCCKSML-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.55
Rot. Bonds2

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

1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol (PubChem CID 62917538) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
PubChem CID62917538
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(CN2CCC(O)C2)no1
InChIInChI=1S/C9H14N2O2/c1-7-4-8(10-13-7)5-11-3-2-9(12)6-11/h4,9,12H,2-3,5-6H2,1H3
InChIKeyHLNYVVVUCCKSML-UHFFFAOYSA-N
XLogP0.55
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol (CID 62917538) is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol is Cc1cc(CN2CCC(O)C2)no1.
What is the InChIKey of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol?
The InChIKey is HLNYVVVUCCKSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7-4-8(10-13-7)5-11-3-2-9(12)6-11/h4,9,12H,2-3,5-6H2,1H3.
What are the key properties of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol?
1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol has a molecular weight of 182.22 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 62917538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).