(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-(1-methyl-3-phenylpyrazol-4-yl)methanone

C19H18N4O2 — CID 86807201

IUPAC(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-(1-methyl-3-phenylpyrazol-4-yl)methanone
SMILESCc1ccc2c(n1)OCCN2C(=O)c1cn(C)nc1-c1ccccc1
InChIInChI=1S/C19H18N4O2/c1-13-8-9-16-18(20-13)25-11-10-23(16)19(24)15-12-22(2)21-17(15)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3
InChIKeyKOOYEWAOHBKUBP-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.83
Rot. Bonds2

About (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-(1-methyl-3-phenylpyrazol-4-yl)methanone

(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-(1-methyl-3-phenylpyrazol-4-yl)methanone (PubChem CID 86807201) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-(1-methyl-3-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-(1-methyl-3-phenylpyrazol-4-yl)methanone
PubChem CID86807201
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-(1-methyl-3-phenylpyrazol-4-yl)methanone
SMILESCc1ccc2c(n1)OCCN2C(=O)c1cn(C)nc1-c1ccccc1
InChIInChI=1S/C19H18N4O2/c1-13-8-9-16-18(20-13)25-11-10-23(16)19(24)15-12-22(2)21-17(15)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3
InChIKeyKOOYEWAOHBKUBP-UHFFFAOYSA-N
XLogP2.83
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 75443254
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone
CID 136520539
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
1-(1-benzoyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl)ethylcarbamic acid
CID 155093204
1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 100673948
(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanone
CID 128987720
1-methyl-3-naphthalen-2-ylpyrazole-4-carboxylic acid
CID 43324436
3-(3-chlorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 43141384
3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 42281960
2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-methyl-1,2-oxazol-5-yl)methanone
CID 75376530
azepan-1-yl-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]methanone
CID 35810279
(1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 24575611

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-(1-methyl-3-phenylpyrazol-4-yl)methanone?
The IUPAC name of (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-(1-methyl-3-phenylpyrazol-4-yl)methanone (CID 86807201) is (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-(1-methyl-3-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-(1-methyl-3-phenylpyrazol-4-yl)methanone?
The canonical SMILES for (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-(1-methyl-3-phenylpyrazol-4-yl)methanone is Cc1ccc2c(n1)OCCN2C(=O)c1cn(C)nc1-c1ccccc1.
What is the InChIKey of (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-(1-methyl-3-phenylpyrazol-4-yl)methanone?
The InChIKey is KOOYEWAOHBKUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-8-9-16-18(20-13)25-11-10-23(16)19(24)15-12-22(2)21-17(15)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3.
What are the key properties of (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-(1-methyl-3-phenylpyrazol-4-yl)methanone?
(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-(1-methyl-3-phenylpyrazol-4-yl)methanone has a molecular weight of 334.38 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-(1-methyl-3-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 86807201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).