[2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-nitrophenyl]methanol

C12H12N2O4 — CID 58515597

IUPAC[2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-nitrophenyl]methanol
SMILESCc1nc(C)c(-c2ccc([N+](=O)[O-])cc2CO)o1
InChIInChI=1S/C12H12N2O4/c1-7-12(18-8(2)13-7)11-4-3-10(14(16)17)5-9(11)6-15/h3-5,15H,6H2,1-2H3
InChIKeyFWIYNPXZJUPMFO-UHFFFAOYSA-N
MW248.24 g/mol
LogP2.36
Rot. Bonds3

About [2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-nitrophenyl]methanol

[2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-nitrophenyl]methanol (PubChem CID 58515597) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is [2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-nitrophenyl]methanol.

Molecular Properties

Compound Name[2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-nitrophenyl]methanol
PubChem CID58515597
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name[2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-nitrophenyl]methanol
SMILESCc1nc(C)c(-c2ccc([N+](=O)[O-])cc2CO)o1
InChIInChI=1S/C12H12N2O4/c1-7-12(18-8(2)13-7)11-4-3-10(14(16)17)5-9(11)6-15/h3-5,15H,6H2,1-2H3
InChIKeyFWIYNPXZJUPMFO-UHFFFAOYSA-N
XLogP2.36
TPSA89.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 52.36
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-(1-methylpyrazol-4-yl)-5-nitrophenyl]methanol
CID 58515578
2-(hydroxymethyl)-4-nitrophenol;propane
CID 142101153
[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-nitrophenyl]methanol
CID 43472935
[5-nitro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanol
CID 61224977
(2-iodo-5-nitrophenyl)methanol
CID 118269742
(5-nitro-2-propan-2-ylphenyl)methanol
CID 118268647
2-ethyl-4-nitrophenol;2-(hydroxymethyl)-4-nitrophenol;methane
CID 157342719
2-(4-methyl-1,3-oxazol-5-yl)-5-nitrophenol
CID 163540013
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
2-methyl-5-(4-nitrophenyl)-1,3-oxazole-4-carbaldehyde
CID 20623543
1-methyl-2-[2-(2-methyl-5-nitrophenyl)ethyl]-4-nitrobenzene
CID 22217045
[2-(dipropylamino)-5-nitrophenyl]methanol
CID 28963458

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-nitrophenyl]methanol?
The IUPAC name of [2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-nitrophenyl]methanol (CID 58515597) is [2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-nitrophenyl]methanol.
What is the SMILES notation for [2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-nitrophenyl]methanol?
The canonical SMILES for [2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-nitrophenyl]methanol is Cc1nc(C)c(-c2ccc([N+](=O)[O-])cc2CO)o1.
What is the InChIKey of [2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-nitrophenyl]methanol?
The InChIKey is FWIYNPXZJUPMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-7-12(18-8(2)13-7)11-4-3-10(14(16)17)5-9(11)6-15/h3-5,15H,6H2,1-2H3.
What are the key properties of [2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-nitrophenyl]methanol?
[2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-nitrophenyl]methanol has a molecular weight of 248.24 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-nitrophenyl]methanol is sourced from PubChem (CID 58515597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).