methyl 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethylamino)-1,3-benzoxazole-7-carboxylate

C16H16N4O4 — CID 166304859

IUPACmethyl 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethylamino)-1,3-benzoxazole-7-carboxylate
SMILESCOC(=O)c1cccc2nc(NCc3cn4c(n3)COCC4)oc12
InChIInChI=1S/C16H16N4O4/c1-22-15(21)11-3-2-4-12-14(11)24-16(19-12)17-7-10-8-20-5-6-23-9-13(20)18-10/h2-4,8H,5-7,9H2,1H3,(H,17,19)
InChIKeyOVWOJOFGWYIRCS-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.95
Rot. Bonds4

About methyl 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethylamino)-1,3-benzoxazole-7-carboxylate

methyl 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethylamino)-1,3-benzoxazole-7-carboxylate (PubChem CID 166304859) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is methyl 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethylamino)-1,3-benzoxazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethylamino)-1,3-benzoxazole-7-carboxylate
PubChem CID166304859
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Namemethyl 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethylamino)-1,3-benzoxazole-7-carboxylate
SMILESCOC(=O)c1cccc2nc(NCc3cn4c(n3)COCC4)oc12
InChIInChI=1S/C16H16N4O4/c1-22-15(21)11-3-2-4-12-14(11)24-16(19-12)17-7-10-8-20-5-6-23-9-13(20)18-10/h2-4,8H,5-7,9H2,1H3,(H,17,19)
InChIKeyOVWOJOFGWYIRCS-UHFFFAOYSA-N
XLogP1.95
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethylamino)-1,3-benzoxazole-7-carboxylate with MolForge

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Related Compounds

methyl 2-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazole-7-carboxylate
CID 68700460
(E)-3-(7-methoxycarbonyl-1,3-benzoxazol-2-yl)prop-2-enoic acid
CID 84632664
methyl 2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1,3-benzoxazole-7-carboxylate
CID 75132039
methyl 2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazole-7-carboxylate
CID 66621015
methyl 2-pyridin-3-yl-1,3-benzoxazole-7-carboxylate
CID 66621160
methyl 3-amino-2-morpholin-4-ylbenzoate
CID 112577589
methyl 2-[3-[(dimethylamino)methyl]phenyl]-1,3-benzoxazole-7-carboxylate
CID 66621354
methyl 2-(1H-indol-2-yl)-1,3-benzoxazole-7-carboxylate
CID 66621353
methyl 2-(4-nitrophenyl)-1,3-benzoxazole-7-carboxylate
CID 12000588
methyl 7-sulfanyl-1,3-benzoxazole-2-carboxylate
CID 130950941
methyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
CID 37471919
methyl 3-bromo-2-(morpholin-4-ylmethyl)benzoate
CID 172876070

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethylamino)-1,3-benzoxazole-7-carboxylate?
The IUPAC name of methyl 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethylamino)-1,3-benzoxazole-7-carboxylate (CID 166304859) is methyl 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethylamino)-1,3-benzoxazole-7-carboxylate.
What is the SMILES notation for methyl 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethylamino)-1,3-benzoxazole-7-carboxylate?
The canonical SMILES for methyl 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethylamino)-1,3-benzoxazole-7-carboxylate is COC(=O)c1cccc2nc(NCc3cn4c(n3)COCC4)oc12.
What is the InChIKey of methyl 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethylamino)-1,3-benzoxazole-7-carboxylate?
The InChIKey is OVWOJOFGWYIRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-22-15(21)11-3-2-4-12-14(11)24-16(19-12)17-7-10-8-20-5-6-23-9-13(20)18-10/h2-4,8H,5-7,9H2,1H3,(H,17,19).
What are the key properties of methyl 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethylamino)-1,3-benzoxazole-7-carboxylate?
methyl 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethylamino)-1,3-benzoxazole-7-carboxylate has a molecular weight of 328.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethylamino)-1,3-benzoxazole-7-carboxylate is sourced from PubChem (CID 166304859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).