1-[4-(5-fluoro-1,3-benzoxazol-2-yl)morpholin-3-yl]propan-2-ol

C14H17FN2O3 — CID 133476040

IUPAC1-[4-(5-fluoro-1,3-benzoxazol-2-yl)morpholin-3-yl]propan-2-ol
SMILESCC(O)CC1COCCN1c1nc2cc(F)ccc2o1
InChIInChI=1S/C14H17FN2O3/c1-9(18)6-11-8-19-5-4-17(11)14-16-12-7-10(15)2-3-13(12)20-14/h2-3,7,9,11,18H,4-6,8H2,1H3
InChIKeyOMKACRJFFOQZCY-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.94
Rot. Bonds3

About 1-[4-(5-fluoro-1,3-benzoxazol-2-yl)morpholin-3-yl]propan-2-ol

1-[4-(5-fluoro-1,3-benzoxazol-2-yl)morpholin-3-yl]propan-2-ol (PubChem CID 133476040) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-[4-(5-fluoro-1,3-benzoxazol-2-yl)morpholin-3-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(5-fluoro-1,3-benzoxazol-2-yl)morpholin-3-yl]propan-2-ol
PubChem CID133476040
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name1-[4-(5-fluoro-1,3-benzoxazol-2-yl)morpholin-3-yl]propan-2-ol
SMILESCC(O)CC1COCCN1c1nc2cc(F)ccc2o1
InChIInChI=1S/C14H17FN2O3/c1-9(18)6-11-8-19-5-4-17(11)14-16-12-7-10(15)2-3-13(12)20-14/h2-3,7,9,11,18H,4-6,8H2,1H3
InChIKeyOMKACRJFFOQZCY-UHFFFAOYSA-N
XLogP1.94
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-1,3-benzoxazol-2-yl)morpholin-3-yl]propan-2-ol?
The IUPAC name of 1-[4-(5-fluoro-1,3-benzoxazol-2-yl)morpholin-3-yl]propan-2-ol (CID 133476040) is 1-[4-(5-fluoro-1,3-benzoxazol-2-yl)morpholin-3-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(5-fluoro-1,3-benzoxazol-2-yl)morpholin-3-yl]propan-2-ol?
The canonical SMILES for 1-[4-(5-fluoro-1,3-benzoxazol-2-yl)morpholin-3-yl]propan-2-ol is CC(O)CC1COCCN1c1nc2cc(F)ccc2o1.
What is the InChIKey of 1-[4-(5-fluoro-1,3-benzoxazol-2-yl)morpholin-3-yl]propan-2-ol?
The InChIKey is OMKACRJFFOQZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-9(18)6-11-8-19-5-4-17(11)14-16-12-7-10(15)2-3-13(12)20-14/h2-3,7,9,11,18H,4-6,8H2,1H3.
What are the key properties of 1-[4-(5-fluoro-1,3-benzoxazol-2-yl)morpholin-3-yl]propan-2-ol?
1-[4-(5-fluoro-1,3-benzoxazol-2-yl)morpholin-3-yl]propan-2-ol has a molecular weight of 280.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-1,3-benzoxazol-2-yl)morpholin-3-yl]propan-2-ol is sourced from PubChem (CID 133476040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).