2-(4-methoxypyrrolidin-2-yl)-5-methyl-1,3-benzoxazole

C13H16N2O2 — CID 54936947

IUPAC2-(4-methoxypyrrolidin-2-yl)-5-methyl-1,3-benzoxazole
SMILESCOC1CNC(c2nc3cc(C)ccc3o2)C1
InChIInChI=1S/C13H16N2O2/c1-8-3-4-12-10(5-8)15-13(17-12)11-6-9(16-2)7-14-11/h3-5,9,11,14H,6-7H2,1-2H3
InChIKeyRNVJYVLWWLCQCV-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.19
Rot. Bonds2

About 2-(4-methoxypyrrolidin-2-yl)-5-methyl-1,3-benzoxazole

2-(4-methoxypyrrolidin-2-yl)-5-methyl-1,3-benzoxazole (PubChem CID 54936947) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(4-methoxypyrrolidin-2-yl)-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-methoxypyrrolidin-2-yl)-5-methyl-1,3-benzoxazole
PubChem CID54936947
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(4-methoxypyrrolidin-2-yl)-5-methyl-1,3-benzoxazole
SMILESCOC1CNC(c2nc3cc(C)ccc3o2)C1
InChIInChI=1S/C13H16N2O2/c1-8-3-4-12-10(5-8)15-13(17-12)11-6-9(16-2)7-14-11/h3-5,9,11,14H,6-7H2,1-2H3
InChIKeyRNVJYVLWWLCQCV-UHFFFAOYSA-N
XLogP2.19
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypyrrolidin-2-yl)-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-(4-methoxypyrrolidin-2-yl)-5-methyl-1,3-benzoxazole (CID 54936947) is 2-(4-methoxypyrrolidin-2-yl)-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-(4-methoxypyrrolidin-2-yl)-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-(4-methoxypyrrolidin-2-yl)-5-methyl-1,3-benzoxazole is COC1CNC(c2nc3cc(C)ccc3o2)C1.
What is the InChIKey of 2-(4-methoxypyrrolidin-2-yl)-5-methyl-1,3-benzoxazole?
The InChIKey is RNVJYVLWWLCQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-3-4-12-10(5-8)15-13(17-12)11-6-9(16-2)7-14-11/h3-5,9,11,14H,6-7H2,1-2H3.
What are the key properties of 2-(4-methoxypyrrolidin-2-yl)-5-methyl-1,3-benzoxazole?
2-(4-methoxypyrrolidin-2-yl)-5-methyl-1,3-benzoxazole has a molecular weight of 232.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypyrrolidin-2-yl)-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 54936947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).