[4-(2,3-dimethyl-5-nitroimidazol-4-yl)morpholin-2-yl]methanol

C10H16N4O4 — CID 113251748

IUPAC[4-(2,3-dimethyl-5-nitroimidazol-4-yl)morpholin-2-yl]methanol
SMILESCc1nc([N+](=O)[O-])c(N2CCOC(CO)C2)n1C
InChIInChI=1S/C10H16N4O4/c1-7-11-9(14(16)17)10(12(7)2)13-3-4-18-8(5-13)6-15/h8,15H,3-6H2,1-2H3
InChIKeyJKDUKARZUQTKIH-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.17
Rot. Bonds3

About [4-(2,3-dimethyl-5-nitroimidazol-4-yl)morpholin-2-yl]methanol

[4-(2,3-dimethyl-5-nitroimidazol-4-yl)morpholin-2-yl]methanol (PubChem CID 113251748) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is [4-(2,3-dimethyl-5-nitroimidazol-4-yl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2,3-dimethyl-5-nitroimidazol-4-yl)morpholin-2-yl]methanol
PubChem CID113251748
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name[4-(2,3-dimethyl-5-nitroimidazol-4-yl)morpholin-2-yl]methanol
SMILESCc1nc([N+](=O)[O-])c(N2CCOC(CO)C2)n1C
InChIInChI=1S/C10H16N4O4/c1-7-11-9(14(16)17)10(12(7)2)13-3-4-18-8(5-13)6-15/h8,15H,3-6H2,1-2H3
InChIKeyJKDUKARZUQTKIH-UHFFFAOYSA-N
XLogP-0.17
TPSA93.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.17
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

1-[1-(2,3-dimethyl-5-nitroimidazol-4-yl)azetidin-3-yl]piperazine
CID 103555034
[1-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 103555147
[4-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)morpholin-2-yl]methanol
CID 81209113
1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpyrrolidin-3-amine
CID 103577754
[4-(2-nitrophenyl)morpholin-2-yl]methanol
CID 79839619
1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpiperidine-2-carboxylic acid
CID 103554699
[4-(2,6-dichloro-4-nitrophenyl)morpholin-2-yl]methanol
CID 104917843
1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-ethylpiperidine-4-carboxylic acid
CID 103554602
3-[2-(hydroxymethyl)morpholin-4-yl]-2-nitrobenzonitrile
CID 104720129
1-[4-[2-(hydroxymethyl)morpholin-4-yl]-3-nitrophenyl]ethanone
CID 79839438
[4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol
CID 81219753
4-[2-(hydroxymethyl)morpholin-4-yl]-3-nitrobenzoic acid
CID 81204138

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethyl-5-nitroimidazol-4-yl)morpholin-2-yl]methanol?
The IUPAC name of [4-(2,3-dimethyl-5-nitroimidazol-4-yl)morpholin-2-yl]methanol (CID 113251748) is [4-(2,3-dimethyl-5-nitroimidazol-4-yl)morpholin-2-yl]methanol.
What is the SMILES notation for [4-(2,3-dimethyl-5-nitroimidazol-4-yl)morpholin-2-yl]methanol?
The canonical SMILES for [4-(2,3-dimethyl-5-nitroimidazol-4-yl)morpholin-2-yl]methanol is Cc1nc([N+](=O)[O-])c(N2CCOC(CO)C2)n1C.
What is the InChIKey of [4-(2,3-dimethyl-5-nitroimidazol-4-yl)morpholin-2-yl]methanol?
The InChIKey is JKDUKARZUQTKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-7-11-9(14(16)17)10(12(7)2)13-3-4-18-8(5-13)6-15/h8,15H,3-6H2,1-2H3.
What are the key properties of [4-(2,3-dimethyl-5-nitroimidazol-4-yl)morpholin-2-yl]methanol?
[4-(2,3-dimethyl-5-nitroimidazol-4-yl)morpholin-2-yl]methanol has a molecular weight of 256.26 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethyl-5-nitroimidazol-4-yl)morpholin-2-yl]methanol is sourced from PubChem (CID 113251748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).