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

C16H17N3O4 — CID 110770696

IUPAC2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cc2ccc3c(c2)N(C)C(=O)C(C)O3)no1
InChIInChI=1S/C16H17N3O4/c1-9-6-14(18-23-9)17-15(20)8-11-4-5-13-12(7-11)19(3)16(21)10(2)22-13/h4-7,10H,8H2,1-3H3,(H,17,18,20)
InChIKeyHGOSEKKCMFVPDW-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.91
Rot. Bonds3

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

2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 110770696) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID110770696
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cc2ccc3c(c2)N(C)C(=O)C(C)O3)no1
InChIInChI=1S/C16H17N3O4/c1-9-6-14(18-23-9)17-15(20)8-11-4-5-13-12(7-11)19(3)16(21)10(2)22-13/h4-7,10H,8H2,1-3H3,(H,17,18,20)
InChIKeyHGOSEKKCMFVPDW-UHFFFAOYSA-N
XLogP1.91
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide with MolForge

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770609
2,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110683008
2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 131895985
2-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methylamino]acetic acid
CID 82501420
6-[2-(4-butanoylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1,4-benzoxazin-3-one
CID 110800158
2,4-dimethyl-6-[(propan-2-ylamino)methyl]-1,4-benzoxazin-3-one
CID 82480298
2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride
CID 154915922
N-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110790097
6-[2-(dimethylsulfamoylamino)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine
CID 110790116
3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carboxylic acid
CID 82371321
N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 42504871
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide
CID 110778200

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 110770696) is 2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cc2ccc3c(c2)N(C)C(=O)C(C)O3)no1.
What is the InChIKey of 2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is HGOSEKKCMFVPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-9-6-14(18-23-9)17-15(20)8-11-4-5-13-12(7-11)19(3)16(21)10(2)22-13/h4-7,10H,8H2,1-3H3,(H,17,18,20).
What are the key properties of 2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 315.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 110770696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).