4-methyl-6-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide

C22H24N4O2 — CID 134807404

IUPAC4-methyl-6-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)NCc2cnn(C)c2)c2c(c1)N(C)CCO2
InChIInChI=1S/C22H24N4O2/c1-15-6-4-5-7-18(15)17-10-19(21-20(11-17)25(2)8-9-28-21)22(27)23-12-16-13-24-26(3)14-16/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,23,27)
InChIKeyVLGLWPQSDWLKSG-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.15
Rot. Bonds4

About 4-methyl-6-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide

4-methyl-6-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide (PubChem CID 134807404) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-methyl-6-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound Name4-methyl-6-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
PubChem CID134807404
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-methyl-6-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)NCc2cnn(C)c2)c2c(c1)N(C)CCO2
InChIInChI=1S/C22H24N4O2/c1-15-6-4-5-7-18(15)17-10-19(21-20(11-17)25(2)8-9-28-21)22(27)23-12-16-13-24-26(3)14-16/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,23,27)
InChIKeyVLGLWPQSDWLKSG-UHFFFAOYSA-N
XLogP3.15
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-6-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide 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

N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-3-trifluoromethyl-benzamide
CID 46833075
N3-(4-(1H-pyrazol-4-yl)phenyl)-N6,N6-dimethylchroman-3,6-dicarboxamide
CID 44571601
N-{3-(2-Methyl-2H-pyrazol-3-yl)-4-[2-(3-oxo-piperazin-1-yl)-ethoxy]-phenyl}-3-trifluoromethyl-benzamide
CID 46833077
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-(trifluoromethyl)benzamide
CID 46833371
2-{[(4-Fluorophenyl)methyl]oxy}-5-(1-methyl-1H-pyrazol-4-yl)-N-3-pyridinylbenzamide
CID 67107333
5-(1-methylpyrazol-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 69937003
5-(1-Methylpyrazol-4-yl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide
CID 132041675
7-(3-amino-1-(4-methoxyphenyl)-1H-pyrazol-4-yl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one
CID 46231532
4-[2-carbamoyl-4-(1-methylpyrazol-4-yl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 145970062
5-[1-(2-methoxyethyl)piperidin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155553547
3-(3,5-dimethylpyrazol-1-yl)-N-[(7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45166786
6-(4-fluoro-2-methoxyphenyl)-4-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 134805475

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The IUPAC name of 4-methyl-6-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide (CID 134807404) is 4-methyl-6-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for 4-methyl-6-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for 4-methyl-6-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide is Cc1ccccc1-c1cc(C(=O)NCc2cnn(C)c2)c2c(c1)N(C)CCO2.
What is the InChIKey of 4-methyl-6-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The InChIKey is VLGLWPQSDWLKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-6-4-5-7-18(15)17-10-19(21-20(11-17)25(2)8-9-28-21)22(27)23-12-16-13-24-26(3)14-16/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,23,27).
What are the key properties of 4-methyl-6-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
4-methyl-6-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 134807404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).