N-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]cyclopropanecarboxamide

C13H14FN3O2 — CID 133314148

IUPACN-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNc1nc2cc(F)ccc2o1)C1CC1
InChIInChI=1S/C13H14FN3O2/c14-9-3-4-11-10(7-9)17-13(19-11)16-6-5-15-12(18)8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,15,18)(H,16,17)
InChIKeyUPSZHEKBQSKSTA-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.90
Rot. Bonds5

About N-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 133314148) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is N-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID133314148
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC NameN-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNc1nc2cc(F)ccc2o1)C1CC1
InChIInChI=1S/C13H14FN3O2/c14-9-3-4-11-10(7-9)17-13(19-11)16-6-5-15-12(18)8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,15,18)(H,16,17)
InChIKeyUPSZHEKBQSKSTA-UHFFFAOYSA-N
XLogP1.90
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]cyclopropanecarboxamide (CID 133314148) is N-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]cyclopropanecarboxamide is O=C(NCCNc1nc2cc(F)ccc2o1)C1CC1.
What is the InChIKey of N-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is UPSZHEKBQSKSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-9-3-4-11-10(7-9)17-13(19-11)16-6-5-15-12(18)8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,15,18)(H,16,17).
What are the key properties of N-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 263.27 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 133314148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).