1-[(2-methylpropan-2-yl)oxy]-3-(2-nitro-1H-imidazol-5-yl)propan-2-ol

C10H17N3O4 — CID 139710416

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-(2-nitro-1H-imidazol-5-yl)propan-2-ol
SMILESCC(C)(C)OCC(O)Cc1cnc([N+](=O)[O-])[nH]1
InChIInChI=1S/C10H17N3O4/c1-10(2,3)17-6-8(14)4-7-5-11-9(12-7)13(15)16/h5,8,14H,4,6H2,1-3H3,(H,11,12)
InChIKeyMOZIFFIDRJRGEU-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.04
Rot. Bonds5

About 1-[(2-methylpropan-2-yl)oxy]-3-(2-nitro-1H-imidazol-5-yl)propan-2-ol

1-[(2-methylpropan-2-yl)oxy]-3-(2-nitro-1H-imidazol-5-yl)propan-2-ol (PubChem CID 139710416) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-(2-nitro-1H-imidazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-(2-nitro-1H-imidazol-5-yl)propan-2-ol
PubChem CID139710416
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-(2-nitro-1H-imidazol-5-yl)propan-2-ol
SMILESCC(C)(C)OCC(O)Cc1cnc([N+](=O)[O-])[nH]1
InChIInChI=1S/C10H17N3O4/c1-10(2,3)17-6-8(14)4-7-5-11-9(12-7)13(15)16/h5,8,14H,4,6H2,1-3H3,(H,11,12)
InChIKeyMOZIFFIDRJRGEU-UHFFFAOYSA-N
XLogP1.04
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(2-nitro-1H-imidazol-5-yl)ethanol
CID 54077026
5-(2-nitro-1H-imidazol-5-yl)pentan-1-amine
CID 122641497
2-nitro-5-propan-2-yloxy-1H-imidazole
CID 19855279
N-(3-amino-2,2-difluoro-3-oxopropyl)-2,2-difluoro-3-(2-nitro-1H-imidazol-5-yl)propanamide
CID 54183677
1-(tert-butylamino)-3-[(2-nitro-3-pyridinyl)oxy]propan-2-ol
CID 115475954
N-[2-[3-[(3-hydroxyimino-2-methylbutan-2-yl)amino]propylamino]-2-methyl-5-(2-nitro-1H-imidazol-5-yl)pentan-3-ylidene]hydroxylamine
CID 85134794
(1S,2S)-2-(dimethylamino)-3-[(2-methylpropan-2-yl)oxy]-1-(4-nitrophenyl)propan-1-ol
CID 11277878
2-nitro-1H-imidazol-5-amine
CID 68978949
5-bromo-2-nitro-1H-imidazole
CID 14358387
2,5-dinitro-1H-imidazole;N-methylmethanamine
CID 175484751
tert-butyl N-[3,4-dihydroxy-4-(5-nitro-1H-imidazol-2-yl)butyl]carbamate
CID 171884653
2,2-difluoro-N-(4-hydroxybutyl)-3-(2-nitro-1H-imidazol-5-yl)propanamide
CID 54438941

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(2-nitro-1H-imidazol-5-yl)propan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(2-nitro-1H-imidazol-5-yl)propan-2-ol (CID 139710416) is 1-[(2-methylpropan-2-yl)oxy]-3-(2-nitro-1H-imidazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-(2-nitro-1H-imidazol-5-yl)propan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-(2-nitro-1H-imidazol-5-yl)propan-2-ol is CC(C)(C)OCC(O)Cc1cnc([N+](=O)[O-])[nH]1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-(2-nitro-1H-imidazol-5-yl)propan-2-ol?
The InChIKey is MOZIFFIDRJRGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-10(2,3)17-6-8(14)4-7-5-11-9(12-7)13(15)16/h5,8,14H,4,6H2,1-3H3,(H,11,12).
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-(2-nitro-1H-imidazol-5-yl)propan-2-ol?
1-[(2-methylpropan-2-yl)oxy]-3-(2-nitro-1H-imidazol-5-yl)propan-2-ol has a molecular weight of 243.26 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-3-(2-nitro-1H-imidazol-5-yl)propan-2-ol is sourced from PubChem (CID 139710416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).