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

C19H20N2O4 — CID 24901582

IUPAC2-[4-(2-morpholin-4-ylethoxy)phenoxy]-1,3-benzoxazole
SMILESc1ccc2oc(Oc3ccc(OCCN4CCOCC4)cc3)nc2c1
InChIInChI=1S/C19H20N2O4/c1-2-4-18-17(3-1)20-19(25-18)24-16-7-5-15(6-8-16)23-14-11-21-9-12-22-13-10-21/h1-8H,9-14H2
InChIKeyNVSWCWWHQRVUDU-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.33
Rot. Bonds6

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

2-[4-(2-morpholin-4-ylethoxy)phenoxy]-1,3-benzoxazole (PubChem CID 24901582) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[4-(2-morpholin-4-ylethoxy)phenoxy]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(2-morpholin-4-ylethoxy)phenoxy]-1,3-benzoxazole
PubChem CID24901582
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[4-(2-morpholin-4-ylethoxy)phenoxy]-1,3-benzoxazole
SMILESc1ccc2oc(Oc3ccc(OCCN4CCOCC4)cc3)nc2c1
InChIInChI=1S/C19H20N2O4/c1-2-4-18-17(3-1)20-19(25-18)24-16-7-5-15(6-8-16)23-14-11-21-9-12-22-13-10-21/h1-8H,9-14H2
InChIKeyNVSWCWWHQRVUDU-UHFFFAOYSA-N
XLogP3.33
TPSA56.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-morpholin-4-ylethoxy)phenoxy]-1,3-benzoxazole?
The IUPAC name of 2-[4-(2-morpholin-4-ylethoxy)phenoxy]-1,3-benzoxazole (CID 24901582) is 2-[4-(2-morpholin-4-ylethoxy)phenoxy]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(2-morpholin-4-ylethoxy)phenoxy]-1,3-benzoxazole?
The canonical SMILES for 2-[4-(2-morpholin-4-ylethoxy)phenoxy]-1,3-benzoxazole is c1ccc2oc(Oc3ccc(OCCN4CCOCC4)cc3)nc2c1.
What is the InChIKey of 2-[4-(2-morpholin-4-ylethoxy)phenoxy]-1,3-benzoxazole?
The InChIKey is NVSWCWWHQRVUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-4-18-17(3-1)20-19(25-18)24-16-7-5-15(6-8-16)23-14-11-21-9-12-22-13-10-21/h1-8H,9-14H2.
What are the key properties of 2-[4-(2-morpholin-4-ylethoxy)phenoxy]-1,3-benzoxazole?
2-[4-(2-morpholin-4-ylethoxy)phenoxy]-1,3-benzoxazole has a molecular weight of 340.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-morpholin-4-ylethoxy)phenoxy]-1,3-benzoxazole is sourced from PubChem (CID 24901582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).