4-(3-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)oxane-4-carboxamide

C19H17FN2O4 — CID 51125644

IUPAC4-(3-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)oxane-4-carboxamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C19H17FN2O4/c20-13-3-1-2-12(10-13)19(6-8-25-9-7-19)17(23)21-14-4-5-16-15(11-14)22-18(24)26-16/h1-5,10-11H,6-9H2,(H,21,23)(H,22,24)
InChIKeyXBKKWMLKHQCFPM-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.95
Rot. Bonds3

About 4-(3-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)oxane-4-carboxamide

4-(3-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)oxane-4-carboxamide (PubChem CID 51125644) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)oxane-4-carboxamide
PubChem CID51125644
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name4-(3-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)oxane-4-carboxamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C19H17FN2O4/c20-13-3-1-2-12(10-13)19(6-8-25-9-7-19)17(23)21-14-4-5-16-15(11-14)22-18(24)26-16/h1-5,10-11H,6-9H2,(H,21,23)(H,22,24)
InChIKeyXBKKWMLKHQCFPM-UHFFFAOYSA-N
XLogP2.95
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60582725
1-(4-chlorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
CID 134019851
N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide
CID 119419472
4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide
CID 60582036
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 86939769
2-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 38466500
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 60582417
4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide
CID 51125642
4-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 51089599
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 120567027
2-bromo-5-fluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 60731828
1-(3-fluorophenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclobutane-1-carboxamide
CID 55620281

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)oxane-4-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)oxane-4-carboxamide (CID 51125644) is 4-(3-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)oxane-4-carboxamide is O=C(Nc1ccc2oc(=O)[nH]c2c1)C1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of 4-(3-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)oxane-4-carboxamide?
The InChIKey is XBKKWMLKHQCFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c20-13-3-1-2-12(10-13)19(6-8-25-9-7-19)17(23)21-14-4-5-16-15(11-14)22-18(24)26-16/h1-5,10-11H,6-9H2,(H,21,23)(H,22,24).
What are the key properties of 4-(3-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)oxane-4-carboxamide?
4-(3-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)oxane-4-carboxamide has a molecular weight of 356.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)oxane-4-carboxamide is sourced from PubChem (CID 51125644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).