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

C10H10N2O3 — CID 91166579

IUPAC2-(3-methyl-2-nitrophenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1cccc(C2=NCCO2)c1[N+](=O)[O-]
InChIInChI=1S/C10H10N2O3/c1-7-3-2-4-8(9(7)12(13)14)10-11-5-6-15-10/h2-4H,5-6H2,1H3
InChIKeyPIYVPFRHKNOZCV-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.68
Rot. Bonds2

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

2-(3-methyl-2-nitrophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 91166579) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(3-methyl-2-nitrophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(3-methyl-2-nitrophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID91166579
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-(3-methyl-2-nitrophenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1cccc(C2=NCCO2)c1[N+](=O)[O-]
InChIInChI=1S/C10H10N2O3/c1-7-3-2-4-8(9(7)12(13)14)10-11-5-6-15-10/h2-4H,5-6H2,1H3
InChIKeyPIYVPFRHKNOZCV-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
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

(4S)-4-benzyl-2-(3-nitrophenyl)-4,5-dihydro-1,3-oxazole
CID 17756826
2-(4-fluoro-3-nitrophenyl)-4,4-dimethyl-5H-oxazole
CID 5067422
2-(4-Nitrophenyl)-4,5-dihydro-1,3-oxazole
CID 244028
2-(3-Nitrophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 16654933
N-ethyl-N-[[(4S)-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]ethanamine
CID 24828470
N-ethyl-N-[[(4R)-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl]ethanamine
CID 24828608
4,4-Dimethyl-2-(3-nitrophenyl)-4,5-dihydro-1,3-oxazole
CID 639991
2-(2-Nitrophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414815
4,4-Dimethyl-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazole
CID 799393
2-(3,5-Dinitrophenyl)-4,5-dihydro-1,3-oxazole
CID 71421159
2-(3-Nitrophenyl)-4,5-dihydro-1,3-oxazole
CID 346893
2-(4,5-Dihydro-1,3-oxazol-2-yl)aniline
CID 10702136

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-nitrophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(3-methyl-2-nitrophenyl)-4,5-dihydro-1,3-oxazole (CID 91166579) is 2-(3-methyl-2-nitrophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(3-methyl-2-nitrophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(3-methyl-2-nitrophenyl)-4,5-dihydro-1,3-oxazole is Cc1cccc(C2=NCCO2)c1[N+](=O)[O-].
What is the InChIKey of 2-(3-methyl-2-nitrophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is PIYVPFRHKNOZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-7-3-2-4-8(9(7)12(13)14)10-11-5-6-15-10/h2-4H,5-6H2,1H3.
What are the key properties of 2-(3-methyl-2-nitrophenyl)-4,5-dihydro-1,3-oxazole?
2-(3-methyl-2-nitrophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 206.20 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-nitrophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 91166579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).