ethyl N-(5-amino-2-methyl-3-phenyl-2H-pyrido[4,3-b][1,4]oxazin-7-yl)carbamate

C17H18N4O3 — CID 5270520

IUPACethyl N-(5-amino-2-methyl-3-phenyl-2H-pyrido[4,3-b][1,4]oxazin-7-yl)carbamate
SMILESCCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)C(C)O2
InChIInChI=1S/C17H18N4O3/c1-3-23-17(22)20-13-9-12-15(16(18)19-13)21-14(10(2)24-12)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H3,18,19,20,22)
InChIKeyABXRCLUZSXGWTR-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.13
Rot. Bonds3

About ethyl N-(5-amino-2-methyl-3-phenyl-2H-pyrido[4,3-b][1,4]oxazin-7-yl)carbamate

ethyl N-(5-amino-2-methyl-3-phenyl-2H-pyrido[4,3-b][1,4]oxazin-7-yl)carbamate (PubChem CID 5270520) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is ethyl N-(5-amino-2-methyl-3-phenyl-2H-pyrido[4,3-b][1,4]oxazin-7-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-amino-2-methyl-3-phenyl-2H-pyrido[4,3-b][1,4]oxazin-7-yl)carbamate
PubChem CID5270520
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Nameethyl N-(5-amino-2-methyl-3-phenyl-2H-pyrido[4,3-b][1,4]oxazin-7-yl)carbamate
SMILESCCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)C(C)O2
InChIInChI=1S/C17H18N4O3/c1-3-23-17(22)20-13-9-12-15(16(18)19-13)21-14(10(2)24-12)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H3,18,19,20,22)
InChIKeyABXRCLUZSXGWTR-UHFFFAOYSA-N
XLogP3.13
TPSA98.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-amino-2-methyl-3-phenyl-2H-pyrido[4,3-b][1,4]oxazin-7-yl)carbamate?
The IUPAC name of ethyl N-(5-amino-2-methyl-3-phenyl-2H-pyrido[4,3-b][1,4]oxazin-7-yl)carbamate (CID 5270520) is ethyl N-(5-amino-2-methyl-3-phenyl-2H-pyrido[4,3-b][1,4]oxazin-7-yl)carbamate.
What is the SMILES notation for ethyl N-(5-amino-2-methyl-3-phenyl-2H-pyrido[4,3-b][1,4]oxazin-7-yl)carbamate?
The canonical SMILES for ethyl N-(5-amino-2-methyl-3-phenyl-2H-pyrido[4,3-b][1,4]oxazin-7-yl)carbamate is CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)C(C)O2.
What is the InChIKey of ethyl N-(5-amino-2-methyl-3-phenyl-2H-pyrido[4,3-b][1,4]oxazin-7-yl)carbamate?
The InChIKey is ABXRCLUZSXGWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-3-23-17(22)20-13-9-12-15(16(18)19-13)21-14(10(2)24-12)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H3,18,19,20,22).
What are the key properties of ethyl N-(5-amino-2-methyl-3-phenyl-2H-pyrido[4,3-b][1,4]oxazin-7-yl)carbamate?
ethyl N-(5-amino-2-methyl-3-phenyl-2H-pyrido[4,3-b][1,4]oxazin-7-yl)carbamate has a molecular weight of 326.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-amino-2-methyl-3-phenyl-2H-pyrido[4,3-b][1,4]oxazin-7-yl)carbamate is sourced from PubChem (CID 5270520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).