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

C10H8N2O4 — CID 135818846

IUPAC2-(3-methyl-4-nitro-1,2-oxazol-5-yl)phenol
SMILESCc1noc(-c2ccccc2O)c1[N+](=O)[O-]
InChIInChI=1S/C10H8N2O4/c1-6-9(12(14)15)10(16-11-6)7-4-2-3-5-8(7)13/h2-5,13H,1H3
InChIKeyLNYCTNMXNKBHRC-UHFFFAOYSA-N
MW220.18 g/mol
LogP2.26
Rot. Bonds2

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

2-(3-methyl-4-nitro-1,2-oxazol-5-yl)phenol (PubChem CID 135818846) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-(3-methyl-4-nitro-1,2-oxazol-5-yl)phenol.

Molecular Properties

Compound Name2-(3-methyl-4-nitro-1,2-oxazol-5-yl)phenol
PubChem CID135818846
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name2-(3-methyl-4-nitro-1,2-oxazol-5-yl)phenol
SMILESCc1noc(-c2ccccc2O)c1[N+](=O)[O-]
InChIInChI=1S/C10H8N2O4/c1-6-9(12(14)15)10(16-11-6)7-4-2-3-5-8(7)13/h2-5,13H,1H3
InChIKeyLNYCTNMXNKBHRC-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'}

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Related Compounds

2-(4-amino-3-methyl-1,2-oxazol-5-yl)phenol
CID 135818847
2-[4-(aminomethyl)-3-methyl-1,2-oxazol-5-yl]phenol
CID 136765417
2-[2-(dimethylamino)-6-methyl-5-nitropyrimidin-4-yl]phenol
CID 135818858
5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-4-nitro-1,2-oxazole
CID 10425380
5-[(Z)-1-bromo-2-phenylethenyl]-3-methyl-4-nitro-1,2-oxazole
CID 121000664
5-methoxy-3-methyl-4-nitro-1,2-oxazole
CID 12794616
4-nitro-3,5-diphenyl-1,2-oxazole
CID 5023418
2-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzoic acid
CID 5223947
2-(2-amino-6-chloro-5-nitropyrimidin-4-yl)phenol
CID 174378554
1-(2-aminophenyl)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethanone
CID 134129151
2-[5-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]furan-2-yl]benzoic acid
CID 2978582
ethyl 3,5-bis(2-nitrophenyl)-1,2-oxazole-4-carboxylate
CID 131867680

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-nitro-1,2-oxazol-5-yl)phenol?
The IUPAC name of 2-(3-methyl-4-nitro-1,2-oxazol-5-yl)phenol (CID 135818846) is 2-(3-methyl-4-nitro-1,2-oxazol-5-yl)phenol.
What is the SMILES notation for 2-(3-methyl-4-nitro-1,2-oxazol-5-yl)phenol?
The canonical SMILES for 2-(3-methyl-4-nitro-1,2-oxazol-5-yl)phenol is Cc1noc(-c2ccccc2O)c1[N+](=O)[O-].
What is the InChIKey of 2-(3-methyl-4-nitro-1,2-oxazol-5-yl)phenol?
The InChIKey is LNYCTNMXNKBHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-6-9(12(14)15)10(16-11-6)7-4-2-3-5-8(7)13/h2-5,13H,1H3.
What are the key properties of 2-(3-methyl-4-nitro-1,2-oxazol-5-yl)phenol?
2-(3-methyl-4-nitro-1,2-oxazol-5-yl)phenol 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-(3-methyl-4-nitro-1,2-oxazol-5-yl)phenol is sourced from PubChem (CID 135818846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).