N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide

C15H15N3O4 — CID 110770609

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
SMILESCc1cc(NC(=O)Cc2ccc3c(c2)NC(=O)C(C)O3)no1
InChIInChI=1S/C15H15N3O4/c1-8-5-13(18-22-8)17-14(19)7-10-3-4-12-11(6-10)16-15(20)9(2)21-12/h3-6,9H,7H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyKOSNJUDVGSMAKC-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.88
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide (PubChem CID 110770609) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
PubChem CID110770609
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
SMILESCc1cc(NC(=O)Cc2ccc3c(c2)NC(=O)C(C)O3)no1
InChIInChI=1S/C15H15N3O4/c1-8-5-13(18-22-8)17-14(19)7-10-3-4-12-11(6-10)16-15(20)9(2)21-12/h3-6,9H,7H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyKOSNJUDVGSMAKC-UHFFFAOYSA-N
XLogP1.88
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770569
2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770558
2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110770696
N-(2,3-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770570
N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 50823341
N-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770527
N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]carbamoyl chloride
CID 115194667
2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 110770503
N-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]carbamoyl bromide
CID 115193782
N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 110790024
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
N-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770562

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide (CID 110770609) is N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide is Cc1cc(NC(=O)Cc2ccc3c(c2)NC(=O)C(C)O3)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The InChIKey is KOSNJUDVGSMAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-8-5-13(18-22-8)17-14(19)7-10-3-4-12-11(6-10)16-15(20)9(2)21-12/h3-6,9H,7H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide has a molecular weight of 301.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 110770609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).