(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(4-methoxyphenyl)carbamate

C15H16N4O6 — CID 142725673

IUPAC(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCC2CCn3cc([N+](=O)[O-])nc3O2)cc1
InChIInChI=1S/C15H16N4O6/c1-23-11-4-2-10(3-5-11)16-15(20)24-9-12-6-7-18-8-13(19(21)22)17-14(18)25-12/h2-5,8,12H,6-7,9H2,1H3,(H,16,20)
InChIKeyRUKJJEBLULSFPO-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.20
Rot. Bonds5

About (2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(4-methoxyphenyl)carbamate

(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(4-methoxyphenyl)carbamate (PubChem CID 142725673) has the molecular formula C15H16N4O6 and a molecular weight of 348.32 g/mol. Its IUPAC name is (2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(4-methoxyphenyl)carbamate
PubChem CID142725673
Molecular FormulaC15H16N4O6
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCC2CCn3cc([N+](=O)[O-])nc3O2)cc1
InChIInChI=1S/C15H16N4O6/c1-23-11-4-2-10(3-5-11)16-15(20)24-9-12-6-7-18-8-13(19(21)22)17-14(18)25-12/h2-5,8,12H,6-7,9H2,1H3,(H,16,20)
InChIKeyRUKJJEBLULSFPO-UHFFFAOYSA-N
XLogP2.20
TPSA117.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[4-[[(7R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl]methoxy]phenyl]piperazine-1-carboxylate
CID 70873645
tert-butyl (3S)-3-methyl-4-[4-[[(7S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl]methoxy]phenyl]piperazine-1-carboxylate
CID 70874608
tert-butyl 4-[4-[4-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methoxy]phenyl]phenyl]piperazine-1-carboxylate
CID 70874289
(6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methyl carbamate
CID 89437400
(4-iodophenyl)methyl 2-[(7R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl]ethyl carbonate
CID 142731454
[(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate
CID 7126263
(7R)-2-nitro-7-[[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperazin-1-yl]phenoxy]methyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 66558962
2-[2-(methoxymethoxy)ethyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
CID 23081554
tert-butyl N-[4-[3-[(9-nitro-2,3,5,6-tetrahydroimidazo[2,1-b][1,3,6]oxadiazocin-4-yl)methyl]phenyl]phenyl]carbamate
CID 71569980
2-chloroethyl N-(4-methoxyphenyl)carbamate
CID 4190237
1-(4-tert-butylphenyl)-3-[4-[[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]urea
CID 127040774
(7R)-2-nitro-7-[[4-[4-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]piperazin-1-yl]phenoxy]methyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 70874795

Frequently Asked Questions

What is the IUPAC name of (2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(4-methoxyphenyl)carbamate?
The IUPAC name of (2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(4-methoxyphenyl)carbamate (CID 142725673) is (2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for (2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(4-methoxyphenyl)carbamate?
The canonical SMILES for (2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(4-methoxyphenyl)carbamate is COc1ccc(NC(=O)OCC2CCn3cc([N+](=O)[O-])nc3O2)cc1.
What is the InChIKey of (2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(4-methoxyphenyl)carbamate?
The InChIKey is RUKJJEBLULSFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O6/c1-23-11-4-2-10(3-5-11)16-15(20)24-9-12-6-7-18-8-13(19(21)22)17-14(18)25-12/h2-5,8,12H,6-7,9H2,1H3,(H,16,20).
What are the key properties of (2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(4-methoxyphenyl)carbamate?
(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(4-methoxyphenyl)carbamate has a molecular weight of 348.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 142725673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).