2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyrimidin-2-yloxyphenyl)acetamide

C21H18N4O4 — CID 39261004

IUPAC2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyrimidin-2-yloxyphenyl)acetamide
SMILESC[C@H]1Oc2ccccc2N(CC(=O)Nc2cccc(Oc3ncccn3)c2)C1=O
InChIInChI=1S/C21H18N4O4/c1-14-20(27)25(17-8-2-3-9-18(17)28-14)13-19(26)24-15-6-4-7-16(12-15)29-21-22-10-5-11-23-21/h2-12,14H,13H2,1H3,(H,24,26)/t14-/m1/s1
InChIKeyXGWMIFIDCFSNSQ-CQSZACIVSA-N
MW390.40 g/mol
LogP3.02
Rot. Bonds5

About 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyrimidin-2-yloxyphenyl)acetamide

2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyrimidin-2-yloxyphenyl)acetamide (PubChem CID 39261004) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyrimidin-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyrimidin-2-yloxyphenyl)acetamide
PubChem CID39261004
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyrimidin-2-yloxyphenyl)acetamide
SMILESC[C@H]1Oc2ccccc2N(CC(=O)Nc2cccc(Oc3ncccn3)c2)C1=O
InChIInChI=1S/C21H18N4O4/c1-14-20(27)25(17-8-2-3-9-18(17)28-14)13-19(26)24-15-6-4-7-16(12-15)29-21-22-10-5-11-23-21/h2-12,14H,13H2,1H3,(H,24,26)/t14-/m1/s1
InChIKeyXGWMIFIDCFSNSQ-CQSZACIVSA-N
XLogP3.02
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyrimidin-2-yloxyphenyl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoate
CID 41293042
2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 41324108
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-quinolin-3-ylacetamide
CID 18146549
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 3224977
N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23409470
4-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
CID 23409297
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-propoxyphenyl)acetamide
CID 17410983
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
CID 7437484
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 28520009
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 43063137
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 71898656
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]acetamide
CID 52545532

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyrimidin-2-yloxyphenyl)acetamide?
The IUPAC name of 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyrimidin-2-yloxyphenyl)acetamide (CID 39261004) is 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyrimidin-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyrimidin-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyrimidin-2-yloxyphenyl)acetamide is C[C@H]1Oc2ccccc2N(CC(=O)Nc2cccc(Oc3ncccn3)c2)C1=O.
What is the InChIKey of 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyrimidin-2-yloxyphenyl)acetamide?
The InChIKey is XGWMIFIDCFSNSQ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H18N4O4/c1-14-20(27)25(17-8-2-3-9-18(17)28-14)13-19(26)24-15-6-4-7-16(12-15)29-21-22-10-5-11-23-21/h2-12,14H,13H2,1H3,(H,24,26)/t14-/m1/s1.
What are the key properties of 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyrimidin-2-yloxyphenyl)acetamide?
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyrimidin-2-yloxyphenyl)acetamide has a molecular weight of 390.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyrimidin-2-yloxyphenyl)acetamide is sourced from PubChem (CID 39261004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).