2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-methylpyrimidin-2-yl)acetamide

C15H15ClN4O2 — CID 126770757

IUPAC2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-methylpyrimidin-2-yl)acetamide
SMILESCc1ccnc(NC(=O)CN2CCOc3ccc(Cl)cc32)n1
InChIInChI=1S/C15H15ClN4O2/c1-10-4-5-17-15(18-10)19-14(21)9-20-6-7-22-13-3-2-11(16)8-12(13)20/h2-5,8H,6-7,9H2,1H3,(H,17,18,19,21)
InChIKeyOZRAMJDXLWSTDP-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.28
Rot. Bonds3

About 2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-methylpyrimidin-2-yl)acetamide

2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-methylpyrimidin-2-yl)acetamide (PubChem CID 126770757) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-methylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-methylpyrimidin-2-yl)acetamide
PubChem CID126770757
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-methylpyrimidin-2-yl)acetamide
SMILESCc1ccnc(NC(=O)CN2CCOc3ccc(Cl)cc32)n1
InChIInChI=1S/C15H15ClN4O2/c1-10-4-5-17-15(18-10)19-14(21)9-20-6-7-22-13-3-2-11(16)8-12(13)20/h2-5,8H,6-7,9H2,1H3,(H,17,18,19,21)
InChIKeyOZRAMJDXLWSTDP-UHFFFAOYSA-N
XLogP2.28
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-methylpyrimidin-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 71984268
2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 71984676
2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 110001775
2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111540254
2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-1-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 126778115
4-[2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]morpholine-2-carboxylic acid
CID 126770019
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30663959
6-chloro-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521483
2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)acetamide
CID 39059714
6-chloro-N,N-diethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 110639469
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 1263385
diethyl 2-[(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)methylidene]propanedioate
CID 46274555

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-methylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-methylpyrimidin-2-yl)acetamide (CID 126770757) is 2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-methylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-methylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-methylpyrimidin-2-yl)acetamide is Cc1ccnc(NC(=O)CN2CCOc3ccc(Cl)cc32)n1.
What is the InChIKey of 2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-methylpyrimidin-2-yl)acetamide?
The InChIKey is OZRAMJDXLWSTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-10-4-5-17-15(18-10)19-14(21)9-20-6-7-22-13-3-2-11(16)8-12(13)20/h2-5,8H,6-7,9H2,1H3,(H,17,18,19,21).
What are the key properties of 2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-methylpyrimidin-2-yl)acetamide?
2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-methylpyrimidin-2-yl)acetamide has a molecular weight of 318.76 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-methylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 126770757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).