4-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide

C17H15FN2O4 — CID 51089599

IUPAC4-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
SMILESO=C(CCCOc1cccc(F)c1)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C17H15FN2O4/c18-11-3-1-4-13(9-11)23-8-2-5-16(21)19-12-6-7-15-14(10-12)20-17(22)24-15/h1,3-4,6-7,9-10H,2,5,8H2,(H,19,21)(H,20,22)
InChIKeyNIHYRUYPZOTMHQ-UHFFFAOYSA-N
MW330.32 g/mol
LogP3.06
Rot. Bonds6

About 4-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide

4-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide (PubChem CID 51089599) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
PubChem CID51089599
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name4-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
SMILESO=C(CCCOc1cccc(F)c1)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C17H15FN2O4/c18-11-3-1-4-13(9-11)23-8-2-5-16(21)19-12-6-7-15-14(10-12)20-17(22)24-15/h1,3-4,6-7,9-10H,2,5,8H2,(H,19,21)(H,20,22)
InChIKeyNIHYRUYPZOTMHQ-UHFFFAOYSA-N
XLogP3.06
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 53.06
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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Related Compounds

2-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 38466500
7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride
CID 119709871
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110607947
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 38466657
4-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110616272
3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 134019686
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 47160045
2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37093998
N-(3-fluorophenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110344778
3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 37162962

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide?
The IUPAC name of 4-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide (CID 51089599) is 4-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide.
What is the SMILES notation for 4-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide?
The canonical SMILES for 4-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide is O=C(CCCOc1cccc(F)c1)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 4-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide?
The InChIKey is NIHYRUYPZOTMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c18-11-3-1-4-13(9-11)23-8-2-5-16(21)19-12-6-7-15-14(10-12)20-17(22)24-15/h1,3-4,6-7,9-10H,2,5,8H2,(H,19,21)(H,20,22).
What are the key properties of 4-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide?
4-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide has a molecular weight of 330.32 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide is sourced from PubChem (CID 51089599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).