2-[[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]methyl]-5-fluoro-1,3-benzoxazole

C17H19FN4O2 — CID 126810576

IUPAC2-[[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]methyl]-5-fluoro-1,3-benzoxazole
SMILESCCn1cc(C2CN(Cc3nc4cc(F)ccc4o3)CCO2)cn1
InChIInChI=1S/C17H19FN4O2/c1-2-22-9-12(8-19-22)16-10-21(5-6-23-16)11-17-20-14-7-13(18)3-4-15(14)24-17/h3-4,7-9,16H,2,5-6,10-11H2,1H3
InChIKeyIYXVLSXKZWNROM-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.76
Rot. Bonds4

About 2-[[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]methyl]-5-fluoro-1,3-benzoxazole

2-[[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]methyl]-5-fluoro-1,3-benzoxazole (PubChem CID 126810576) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]methyl]-5-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name2-[[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]methyl]-5-fluoro-1,3-benzoxazole
PubChem CID126810576
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name2-[[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]methyl]-5-fluoro-1,3-benzoxazole
SMILESCCn1cc(C2CN(Cc3nc4cc(F)ccc4o3)CCO2)cn1
InChIInChI=1S/C17H19FN4O2/c1-2-22-9-12(8-19-22)16-10-21(5-6-23-16)11-17-20-14-7-13(18)3-4-15(14)24-17/h3-4,7-9,16H,2,5-6,10-11H2,1H3
InChIKeyIYXVLSXKZWNROM-UHFFFAOYSA-N
XLogP2.76
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]methyl]-5-fluoro-1,3-benzoxazole?
The IUPAC name of 2-[[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]methyl]-5-fluoro-1,3-benzoxazole (CID 126810576) is 2-[[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]methyl]-5-fluoro-1,3-benzoxazole.
What is the SMILES notation for 2-[[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]methyl]-5-fluoro-1,3-benzoxazole?
The canonical SMILES for 2-[[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]methyl]-5-fluoro-1,3-benzoxazole is CCn1cc(C2CN(Cc3nc4cc(F)ccc4o3)CCO2)cn1.
What is the InChIKey of 2-[[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]methyl]-5-fluoro-1,3-benzoxazole?
The InChIKey is IYXVLSXKZWNROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-2-22-9-12(8-19-22)16-10-21(5-6-23-16)11-17-20-14-7-13(18)3-4-15(14)24-17/h3-4,7-9,16H,2,5-6,10-11H2,1H3.
What are the key properties of 2-[[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]methyl]-5-fluoro-1,3-benzoxazole?
2-[[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]methyl]-5-fluoro-1,3-benzoxazole has a molecular weight of 330.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]methyl]-5-fluoro-1,3-benzoxazole is sourced from PubChem (CID 126810576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).