2-(4-methyl-1,3-oxazol-5-yl)-5-nitrophenol

C10H8N2O4 — CID 163540013

IUPAC2-(4-methyl-1,3-oxazol-5-yl)-5-nitrophenol
SMILESCc1ncoc1-c1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C10H8N2O4/c1-6-10(16-5-11-6)8-3-2-7(12(14)15)4-9(8)13/h2-5,13H,1H3
InChIKeyFAHXRXDTOADWDD-UHFFFAOYSA-N
MW220.18 g/mol
LogP2.26
Rot. Bonds2

About 2-(4-methyl-1,3-oxazol-5-yl)-5-nitrophenol

2-(4-methyl-1,3-oxazol-5-yl)-5-nitrophenol (PubChem CID 163540013) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-(4-methyl-1,3-oxazol-5-yl)-5-nitrophenol.

Molecular Properties

Compound Name2-(4-methyl-1,3-oxazol-5-yl)-5-nitrophenol
PubChem CID163540013
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name2-(4-methyl-1,3-oxazol-5-yl)-5-nitrophenol
SMILESCc1ncoc1-c1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C10H8N2O4/c1-6-10(16-5-11-6)8-3-2-7(12(14)15)4-9(8)13/h2-5,13H,1H3
InChIKeyFAHXRXDTOADWDD-UHFFFAOYSA-N
XLogP2.26
TPSA89.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 52.26
H-Bond Donors ≤ 51
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'}

Analyze 2-(4-methyl-1,3-oxazol-5-yl)-5-nitrophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methoxy-4-nitrophenyl)-4-methyl-1,3-oxazole
CID 90429374
sodium 5-(2-chloro-4-nitrophenyl)-1,3-oxazole-4-carboxylate
CID 139851838
5-nitro-1,3-benzoxazole
CID 1482180
methyl 5-(2-methoxycarbonyl-5-nitrophenyl)-1,3-oxazole-4-carboxylate
CID 12508154
5-nitro-2-(1,2-oxazol-5-yl)phenol
CID 135445335
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
[2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-nitrophenyl]methanol
CID 58515597
2-bromo-5-nitrophenol;ethane
CID 177010307
2-methyl-4-nitrophenol;molecular nitrogen
CID 166479227
2-ethyl-5-nitrophenol
CID 18980077
2-(4-methylsulfonylphenyl)-5-nitrophenol
CID 139699309
ethyl 3-(2-hydroxy-4-nitrophenyl)benzoate
CID 11044381

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-oxazol-5-yl)-5-nitrophenol?
The IUPAC name of 2-(4-methyl-1,3-oxazol-5-yl)-5-nitrophenol (CID 163540013) is 2-(4-methyl-1,3-oxazol-5-yl)-5-nitrophenol.
What is the SMILES notation for 2-(4-methyl-1,3-oxazol-5-yl)-5-nitrophenol?
The canonical SMILES for 2-(4-methyl-1,3-oxazol-5-yl)-5-nitrophenol is Cc1ncoc1-c1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 2-(4-methyl-1,3-oxazol-5-yl)-5-nitrophenol?
The InChIKey is FAHXRXDTOADWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-6-10(16-5-11-6)8-3-2-7(12(14)15)4-9(8)13/h2-5,13H,1H3.
What are the key properties of 2-(4-methyl-1,3-oxazol-5-yl)-5-nitrophenol?
2-(4-methyl-1,3-oxazol-5-yl)-5-nitrophenol has a molecular weight of 220.18 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-oxazol-5-yl)-5-nitrophenol is sourced from PubChem (CID 163540013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).