N'-(N-aminoanilino)-2-(4-fluoro-2-oxo-3H-1,3-benzoxazol-5-yl)ethanimidamide

C15H14FN5O2 — CID 178155197

IUPACN'-(N-aminoanilino)-2-(4-fluoro-2-oxo-3H-1,3-benzoxazol-5-yl)ethanimidamide
SMILESN/C(Cc1ccc2oc(=O)[nH]c2c1F)=N\N(N)c1ccccc1
InChIInChI=1S/C15H14FN5O2/c16-13-9(6-7-11-14(13)19-15(22)23-11)8-12(17)20-21(18)10-4-2-1-3-5-10/h1-7H,8,18H2,(H2,17,20)(H,19,22)
InChIKeyOZFCDGWDVKVONH-UHFFFAOYSA-N
MW315.31 g/mol
LogP1.46
Rot. Bonds4

About N'-(N-aminoanilino)-2-(4-fluoro-2-oxo-3H-1,3-benzoxazol-5-yl)ethanimidamide

N'-(N-aminoanilino)-2-(4-fluoro-2-oxo-3H-1,3-benzoxazol-5-yl)ethanimidamide (PubChem CID 178155197) has the molecular formula C15H14FN5O2 and a molecular weight of 315.31 g/mol. Its IUPAC name is N'-(N-aminoanilino)-2-(4-fluoro-2-oxo-3H-1,3-benzoxazol-5-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(N-aminoanilino)-2-(4-fluoro-2-oxo-3H-1,3-benzoxazol-5-yl)ethanimidamide
PubChem CID178155197
Molecular FormulaC15H14FN5O2
Molecular Weight315.31 g/mol
Exact Mass315.11
IUPAC NameN'-(N-aminoanilino)-2-(4-fluoro-2-oxo-3H-1,3-benzoxazol-5-yl)ethanimidamide
SMILESN/C(Cc1ccc2oc(=O)[nH]c2c1F)=N\N(N)c1ccccc1
InChIInChI=1S/C15H14FN5O2/c16-13-9(6-7-11-14(13)19-15(22)23-11)8-12(17)20-21(18)10-4-2-1-3-5-10/h1-7H,8,18H2,(H2,17,20)(H,19,22)
InChIKeyOZFCDGWDVKVONH-UHFFFAOYSA-N
XLogP1.46
TPSA113.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(N-aminoanilino)-2-(4-fluoro-2-oxo-3H-1,3-benzoxazol-5-yl)ethanimidamide?
The IUPAC name of N'-(N-aminoanilino)-2-(4-fluoro-2-oxo-3H-1,3-benzoxazol-5-yl)ethanimidamide (CID 178155197) is N'-(N-aminoanilino)-2-(4-fluoro-2-oxo-3H-1,3-benzoxazol-5-yl)ethanimidamide.
What is the SMILES notation for N'-(N-aminoanilino)-2-(4-fluoro-2-oxo-3H-1,3-benzoxazol-5-yl)ethanimidamide?
The canonical SMILES for N'-(N-aminoanilino)-2-(4-fluoro-2-oxo-3H-1,3-benzoxazol-5-yl)ethanimidamide is N/C(Cc1ccc2oc(=O)[nH]c2c1F)=N\N(N)c1ccccc1.
What is the InChIKey of N'-(N-aminoanilino)-2-(4-fluoro-2-oxo-3H-1,3-benzoxazol-5-yl)ethanimidamide?
The InChIKey is OZFCDGWDVKVONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2/c16-13-9(6-7-11-14(13)19-15(22)23-11)8-12(17)20-21(18)10-4-2-1-3-5-10/h1-7H,8,18H2,(H2,17,20)(H,19,22).
What are the key properties of N'-(N-aminoanilino)-2-(4-fluoro-2-oxo-3H-1,3-benzoxazol-5-yl)ethanimidamide?
N'-(N-aminoanilino)-2-(4-fluoro-2-oxo-3H-1,3-benzoxazol-5-yl)ethanimidamide has a molecular weight of 315.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N-aminoanilino)-2-(4-fluoro-2-oxo-3H-1,3-benzoxazol-5-yl)ethanimidamide is sourced from PubChem (CID 178155197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).