3-(2-methyl-6-nitrophenyl)-4,5-dihydro-1,2-oxazole

C10H10N2O3 — CID 11074534

IUPAC3-(2-methyl-6-nitrophenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1cccc([N+](=O)[O-])c1C1=NOCC1
InChIInChI=1S/C10H10N2O3/c1-7-3-2-4-9(12(13)14)10(7)8-5-6-15-11-8/h2-4H,5-6H2,1H3
InChIKeyHYEDIIKBTFDHAR-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.03
Rot. Bonds2

About 3-(2-methyl-6-nitrophenyl)-4,5-dihydro-1,2-oxazole

3-(2-methyl-6-nitrophenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 11074534) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-(2-methyl-6-nitrophenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(2-methyl-6-nitrophenyl)-4,5-dihydro-1,2-oxazole
PubChem CID11074534
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-(2-methyl-6-nitrophenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1cccc([N+](=O)[O-])c1C1=NOCC1
InChIInChI=1S/C10H10N2O3/c1-7-3-2-4-9(12(13)14)10(7)8-5-6-15-11-8/h2-4H,5-6H2,1H3
InChIKeyHYEDIIKBTFDHAR-UHFFFAOYSA-N
XLogP2.03
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-3-nitro-2-phenylbenzene
CID 12733092
2-(4-chlorophenyl)-1-methyl-3-nitrobenzene
CID 139898701
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CID 100971309
5-(2-methyl-6-nitrophenyl)-3-(2,4,6-trimethylphenyl)-1,2-oxazole
CID 71497917
1-methyl-2,3-dinitrobenzene;1,2,3-trinitrobenzene
CID 19080539
1-methyl-2,3-dinitrobenzene;hydrate
CID 86587264
5-(2-methyl-6-nitrophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62945288
1-methyl-2-nitro-3-(2-nitrophenoxy)benzene
CID 133391393
2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine
CID 67152544
3-[5-(2-methyl-6-nitrophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61324872
N-[[5-(2-methyl-6-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62137203
N-[[5-(2-methyl-6-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62138133

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-6-nitrophenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(2-methyl-6-nitrophenyl)-4,5-dihydro-1,2-oxazole (CID 11074534) is 3-(2-methyl-6-nitrophenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(2-methyl-6-nitrophenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(2-methyl-6-nitrophenyl)-4,5-dihydro-1,2-oxazole is Cc1cccc([N+](=O)[O-])c1C1=NOCC1.
What is the InChIKey of 3-(2-methyl-6-nitrophenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is HYEDIIKBTFDHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-7-3-2-4-9(12(13)14)10(7)8-5-6-15-11-8/h2-4H,5-6H2,1H3.
What are the key properties of 3-(2-methyl-6-nitrophenyl)-4,5-dihydro-1,2-oxazole?
3-(2-methyl-6-nitrophenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 206.20 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-6-nitrophenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 11074534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).