[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1,3-benzoxazol-4-yl]methanol

C15H10FN3O3 — CID 176936372

IUPAC[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1,3-benzoxazol-4-yl]methanol
SMILESOCc1cccc2oc(Nc3nc4cc(F)ccc4o3)nc12
InChIInChI=1S/C15H10FN3O3/c16-9-4-5-11-10(6-9)17-14(21-11)19-15-18-13-8(7-20)2-1-3-12(13)22-15/h1-6,20H,7H2,(H,17,18,19)
InChIKeyMFNIOXQUOZINKL-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.34
Rot. Bonds3

About [2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1,3-benzoxazol-4-yl]methanol

[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1,3-benzoxazol-4-yl]methanol (PubChem CID 176936372) has the molecular formula C15H10FN3O3 and a molecular weight of 299.26 g/mol. Its IUPAC name is [2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1,3-benzoxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1,3-benzoxazol-4-yl]methanol
PubChem CID176936372
Molecular FormulaC15H10FN3O3
Molecular Weight299.26 g/mol
Exact Mass299.07
IUPAC Name[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1,3-benzoxazol-4-yl]methanol
SMILESOCc1cccc2oc(Nc3nc4cc(F)ccc4o3)nc12
InChIInChI=1S/C15H10FN3O3/c16-9-4-5-11-10(6-9)17-14(21-11)19-15-18-13-8(7-20)2-1-3-12(13)22-15/h1-6,20H,7H2,(H,17,18,19)
InChIKeyMFNIOXQUOZINKL-UHFFFAOYSA-N
XLogP3.34
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1,3-benzoxazol-4-yl]methanol?
The IUPAC name of [2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1,3-benzoxazol-4-yl]methanol (CID 176936372) is [2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1,3-benzoxazol-4-yl]methanol.
What is the SMILES notation for [2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1,3-benzoxazol-4-yl]methanol?
The canonical SMILES for [2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1,3-benzoxazol-4-yl]methanol is OCc1cccc2oc(Nc3nc4cc(F)ccc4o3)nc12.
What is the InChIKey of [2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1,3-benzoxazol-4-yl]methanol?
The InChIKey is MFNIOXQUOZINKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O3/c16-9-4-5-11-10(6-9)17-14(21-11)19-15-18-13-8(7-20)2-1-3-12(13)22-15/h1-6,20H,7H2,(H,17,18,19).
What are the key properties of [2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1,3-benzoxazol-4-yl]methanol?
[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1,3-benzoxazol-4-yl]methanol has a molecular weight of 299.26 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1,3-benzoxazol-4-yl]methanol is sourced from PubChem (CID 176936372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).