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

C15H16N4O5 — CID 142725690

IUPAC(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OCC2CCn3cc([N+](=O)[O-])nc3O2)c1
InChIInChI=1S/C15H16N4O5/c1-10-3-2-4-11(7-10)16-15(20)23-9-12-5-6-18-8-13(19(21)22)17-14(18)24-12/h2-4,7-8,12H,5-6,9H2,1H3,(H,16,20)
InChIKeyBWHGOAKAIMYOMW-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.50
Rot. Bonds4

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

(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(3-methylphenyl)carbamate (PubChem CID 142725690) has the molecular formula C15H16N4O5 and a molecular weight of 332.32 g/mol. Its IUPAC name is (2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Name(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(3-methylphenyl)carbamate
PubChem CID142725690
Molecular FormulaC15H16N4O5
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC Name(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OCC2CCn3cc([N+](=O)[O-])nc3O2)c1
InChIInChI=1S/C15H16N4O5/c1-10-3-2-4-11(7-10)16-15(20)23-9-12-5-6-18-8-13(19(21)22)17-14(18)24-12/h2-4,7-8,12H,5-6,9H2,1H3,(H,16,20)
InChIKeyBWHGOAKAIMYOMW-UHFFFAOYSA-N
XLogP2.50
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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
(6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methyl carbamate
CID 89437400
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
(4-iodophenyl)methyl 2-[(7R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl]ethyl carbonate
CID 142731454
[2-(aminomethyl)cyclopentyl]methyl N-(3-methylphenyl)carbamate
CID 79336958
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-(methylamino)ethyl N-(3-methylphenyl)carbamate
CID 79338222
2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate
CID 44722441
[(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate
CID 27077124
[(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate
CID 7126263
propyl N-(3-nitrophenyl)carbamate
CID 522989
2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 164980144

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-(3-methylphenyl)carbamate?
The IUPAC name of (2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(3-methylphenyl)carbamate (CID 142725690) is (2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(3-methylphenyl)carbamate.
What is the SMILES notation for (2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(3-methylphenyl)carbamate?
The canonical SMILES for (2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(3-methylphenyl)carbamate is Cc1cccc(NC(=O)OCC2CCn3cc([N+](=O)[O-])nc3O2)c1.
What is the InChIKey of (2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(3-methylphenyl)carbamate?
The InChIKey is BWHGOAKAIMYOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5/c1-10-3-2-4-11(7-10)16-15(20)23-9-12-5-6-18-8-13(19(21)22)17-14(18)24-12/h2-4,7-8,12H,5-6,9H2,1H3,(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-(3-methylphenyl)carbamate?
(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-7-yl)methyl N-(3-methylphenyl)carbamate has a molecular weight of 332.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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-(3-methylphenyl)carbamate is sourced from PubChem (CID 142725690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).