2-[4-[(4-methoxyphenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl]acetohydrazide

C17H20N4O3 — CID 142744939

IUPAC2-[4-[(4-methoxyphenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl]acetohydrazide
SMILESCOc1ccc(CN2CC(CC(=O)NN)Oc3cccnc32)cc1
InChIInChI=1S/C17H20N4O3/c1-23-13-6-4-12(5-7-13)10-21-11-14(9-16(22)20-18)24-15-3-2-8-19-17(15)21/h2-8,14H,9-11,18H2,1H3,(H,20,22)
InChIKeyDGAGGTMOTMECBV-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.24
Rot. Bonds5

About 2-[4-[(4-methoxyphenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl]acetohydrazide

2-[4-[(4-methoxyphenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl]acetohydrazide (PubChem CID 142744939) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl]acetohydrazide
PubChem CID142744939
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-[4-[(4-methoxyphenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl]acetohydrazide
SMILESCOc1ccc(CN2CC(CC(=O)NN)Oc3cccnc32)cc1
InChIInChI=1S/C17H20N4O3/c1-23-13-6-4-12(5-7-13)10-21-11-14(9-16(22)20-18)24-15-3-2-8-19-17(15)21/h2-8,14H,9-11,18H2,1H3,(H,20,22)
InChIKeyDGAGGTMOTMECBV-UHFFFAOYSA-N
XLogP1.24
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(4-methoxyphenyl)methyl]-2-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 142744959
4-benzyl-2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 13212017
5-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023092
2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-2-yl)-N-(2,4,6-trimethoxyphenyl)acetamide
CID 139990417
(2S)-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 166638231
4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071613
2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 51093870
4-[(4-methoxyphenyl)methyl]-2-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 142744955
(2R)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 118124141
(3aR,6aS)-5-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97401857
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162853
methyl 2-(dimethylcarbamoyl)-4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxylate
CID 126645543

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl]acetohydrazide?
The IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl]acetohydrazide (CID 142744939) is 2-[4-[(4-methoxyphenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl]acetohydrazide.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl]acetohydrazide?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl]acetohydrazide is COc1ccc(CN2CC(CC(=O)NN)Oc3cccnc32)cc1.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl]acetohydrazide?
The InChIKey is DGAGGTMOTMECBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-13-6-4-12(5-7-13)10-21-11-14(9-16(22)20-18)24-15-3-2-8-19-17(15)21/h2-8,14H,9-11,18H2,1H3,(H,20,22).
What are the key properties of 2-[4-[(4-methoxyphenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl]acetohydrazide?
2-[4-[(4-methoxyphenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl]acetohydrazide has a molecular weight of 328.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl]acetohydrazide is sourced from PubChem (CID 142744939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).