2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1,3-benzoxazole

C19H20N2O3 — CID 11472786

IUPAC2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1,3-benzoxazole
SMILESc1ccc2oc(Oc3ccc(OCCN4CCCC4)cc3)nc2c1
InChIInChI=1S/C19H20N2O3/c1-2-6-18-17(5-1)20-19(24-18)23-16-9-7-15(8-10-16)22-14-13-21-11-3-4-12-21/h1-2,5-10H,3-4,11-14H2
InChIKeyNNHHNGXLAAEJGV-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.09
Rot. Bonds6

About 2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1,3-benzoxazole

2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1,3-benzoxazole (PubChem CID 11472786) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1,3-benzoxazole
PubChem CID11472786
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1,3-benzoxazole
SMILESc1ccc2oc(Oc3ccc(OCCN4CCCC4)cc3)nc2c1
InChIInChI=1S/C19H20N2O3/c1-2-6-18-17(5-1)20-19(24-18)23-16-9-7-15(8-10-16)22-14-13-21-11-3-4-12-21/h1-2,5-10H,3-4,11-14H2
InChIKeyNNHHNGXLAAEJGV-UHFFFAOYSA-N
XLogP4.09
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1,3-benzoxazole?
The IUPAC name of 2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1,3-benzoxazole (CID 11472786) is 2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1,3-benzoxazole?
The canonical SMILES for 2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1,3-benzoxazole is c1ccc2oc(Oc3ccc(OCCN4CCCC4)cc3)nc2c1.
What is the InChIKey of 2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1,3-benzoxazole?
The InChIKey is NNHHNGXLAAEJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-6-18-17(5-1)20-19(24-18)23-16-9-7-15(8-10-16)22-14-13-21-11-3-4-12-21/h1-2,5-10H,3-4,11-14H2.
What are the key properties of 2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1,3-benzoxazole?
2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1,3-benzoxazole has a molecular weight of 324.38 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1,3-benzoxazole is sourced from PubChem (CID 11472786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).