5-[1-[4-(fluoromethoxy)phenyl]-4-methyl-6-oxo-3-pyridinyl]-3H-1,3-benzoxazol-2-one

C20H15FN2O4 — CID 122541134

IUPAC5-[1-[4-(fluoromethoxy)phenyl]-4-methyl-6-oxo-3-pyridinyl]-3H-1,3-benzoxazol-2-one
SMILESCc1cc(=O)n(-c2ccc(OCF)cc2)cc1-c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C20H15FN2O4/c1-12-8-19(24)23(14-3-5-15(6-4-14)26-11-21)10-16(12)13-2-7-18-17(9-13)22-20(25)27-18/h2-10H,11H2,1H3,(H,22,25)
InChIKeyMLFFGWUAZOEBQS-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.55
Rot. Bonds4

About 5-[1-[4-(fluoromethoxy)phenyl]-4-methyl-6-oxo-3-pyridinyl]-3H-1,3-benzoxazol-2-one

5-[1-[4-(fluoromethoxy)phenyl]-4-methyl-6-oxo-3-pyridinyl]-3H-1,3-benzoxazol-2-one (PubChem CID 122541134) has the molecular formula C20H15FN2O4 and a molecular weight of 366.35 g/mol. Its IUPAC name is 5-[1-[4-(fluoromethoxy)phenyl]-4-methyl-6-oxo-3-pyridinyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[1-[4-(fluoromethoxy)phenyl]-4-methyl-6-oxo-3-pyridinyl]-3H-1,3-benzoxazol-2-one
PubChem CID122541134
Molecular FormulaC20H15FN2O4
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC Name5-[1-[4-(fluoromethoxy)phenyl]-4-methyl-6-oxo-3-pyridinyl]-3H-1,3-benzoxazol-2-one
SMILESCc1cc(=O)n(-c2ccc(OCF)cc2)cc1-c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C20H15FN2O4/c1-12-8-19(24)23(14-3-5-15(6-4-14)26-11-21)10-16(12)13-2-7-18-17(9-13)22-20(25)27-18/h2-10H,11H2,1H3,(H,22,25)
InChIKeyMLFFGWUAZOEBQS-UHFFFAOYSA-N
XLogP3.55
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[1-[4-(fluoromethoxy)phenyl]-4-methyl-6-oxo-3-pyridinyl]-3H-1,3-benzoxazol-2-one with MolForge

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Related Compounds

1-[4-(fluoromethoxy)phenyl]-5-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-one
CID 129093336
3-methyl-6-[4-methyl-6-oxo-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1,3-benzoxazol-2-one
CID 163493661
5-(2,5-dimethylphenyl)-3H-1,3-benzoxazol-2-one
CID 82084268
[6-[4-methyl-6-oxo-1-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-2-oxo-1,3-benzoxazol-3-yl]thallium
CID 162595050
5-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662250
2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37093998
5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110361243
5-piperidin-1-yl-3H-1,3-benzoxazol-2-one
CID 23074043
(2-oxo-3H-1,3-benzoxazol-5-yl) acetate
CID 175493063
2-methyl-6-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrimidine-4-carbonitrile
CID 116857937
5-[2-(chloromethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one
CID 116878109
5-pyridin-4-yl-3H-1,3-benzoxazol-2-one
CID 12851329

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(fluoromethoxy)phenyl]-4-methyl-6-oxo-3-pyridinyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[1-[4-(fluoromethoxy)phenyl]-4-methyl-6-oxo-3-pyridinyl]-3H-1,3-benzoxazol-2-one (CID 122541134) is 5-[1-[4-(fluoromethoxy)phenyl]-4-methyl-6-oxo-3-pyridinyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[1-[4-(fluoromethoxy)phenyl]-4-methyl-6-oxo-3-pyridinyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[1-[4-(fluoromethoxy)phenyl]-4-methyl-6-oxo-3-pyridinyl]-3H-1,3-benzoxazol-2-one is Cc1cc(=O)n(-c2ccc(OCF)cc2)cc1-c1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 5-[1-[4-(fluoromethoxy)phenyl]-4-methyl-6-oxo-3-pyridinyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is MLFFGWUAZOEBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4/c1-12-8-19(24)23(14-3-5-15(6-4-14)26-11-21)10-16(12)13-2-7-18-17(9-13)22-20(25)27-18/h2-10H,11H2,1H3,(H,22,25).
What are the key properties of 5-[1-[4-(fluoromethoxy)phenyl]-4-methyl-6-oxo-3-pyridinyl]-3H-1,3-benzoxazol-2-one?
5-[1-[4-(fluoromethoxy)phenyl]-4-methyl-6-oxo-3-pyridinyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 366.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(fluoromethoxy)phenyl]-4-methyl-6-oxo-3-pyridinyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 122541134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).