2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide

C21H18FN3O4 — CID 110630339

IUPAC2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide
SMILESCc1oc(-c2ccc(F)cc2)nc1CC(=O)Nc1cccc2c1OCC(=O)N2C
InChIInChI=1S/C21H18FN3O4/c1-12-16(24-21(29-12)13-6-8-14(22)9-7-13)10-18(26)23-15-4-3-5-17-20(15)28-11-19(27)25(17)2/h3-9H,10-11H2,1-2H3,(H,23,26)
InChIKeyCCKUKJIHICTBKC-UHFFFAOYSA-N
MW395.39 g/mol
LogP3.33
Rot. Bonds4

About 2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide

2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide (PubChem CID 110630339) has the molecular formula C21H18FN3O4 and a molecular weight of 395.39 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide
PubChem CID110630339
Molecular FormulaC21H18FN3O4
Molecular Weight395.39 g/mol
Exact Mass395.13
IUPAC Name2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide
SMILESCc1oc(-c2ccc(F)cc2)nc1CC(=O)Nc1cccc2c1OCC(=O)N2C
InChIInChI=1S/C21H18FN3O4/c1-12-16(24-21(29-12)13-6-8-14(22)9-7-13)10-18(26)23-15-4-3-5-17-20(15)28-11-19(27)25(17)2/h3-9H,10-11H2,1-2H3,(H,23,26)
InChIKeyCCKUKJIHICTBKC-UHFFFAOYSA-N
XLogP3.33
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide (CID 110630339) is 2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide is Cc1oc(-c2ccc(F)cc2)nc1CC(=O)Nc1cccc2c1OCC(=O)N2C.
What is the InChIKey of 2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide?
The InChIKey is CCKUKJIHICTBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O4/c1-12-16(24-21(29-12)13-6-8-14(22)9-7-13)10-18(26)23-15-4-3-5-17-20(15)28-11-19(27)25(17)2/h3-9H,10-11H2,1-2H3,(H,23,26).
What are the key properties of 2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide?
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide has a molecular weight of 395.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide is sourced from PubChem (CID 110630339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).