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

C19H18N2O3 — CID 71497917

IUPAC5-(2-methyl-6-nitrophenyl)-3-(2,4,6-trimethylphenyl)-1,2-oxazole
SMILESCc1cc(C)c(-c2cc(-c3c(C)cccc3[N+](=O)[O-])on2)c(C)c1
InChIInChI=1S/C19H18N2O3/c1-11-8-13(3)18(14(4)9-11)15-10-17(24-20-15)19-12(2)6-5-7-16(19)21(22)23/h5-10H,1-4H3
InChIKeyRUBZTAQIPNBBOL-UHFFFAOYSA-N
MW322.36 g/mol
LogP5.15
Rot. Bonds3

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

5-(2-methyl-6-nitrophenyl)-3-(2,4,6-trimethylphenyl)-1,2-oxazole (PubChem CID 71497917) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 5-(2-methyl-6-nitrophenyl)-3-(2,4,6-trimethylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(2-methyl-6-nitrophenyl)-3-(2,4,6-trimethylphenyl)-1,2-oxazole
PubChem CID71497917
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name5-(2-methyl-6-nitrophenyl)-3-(2,4,6-trimethylphenyl)-1,2-oxazole
SMILESCc1cc(C)c(-c2cc(-c3c(C)cccc3[N+](=O)[O-])on2)c(C)c1
InChIInChI=1S/C19H18N2O3/c1-11-8-13(3)18(14(4)9-11)15-10-17(24-20-15)19-12(2)6-5-7-16(19)21(22)23/h5-10H,1-4H3
InChIKeyRUBZTAQIPNBBOL-UHFFFAOYSA-N
XLogP5.15
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.36
LogP ≤ 55.15
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

2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine
CID 67152544
5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66198589
4-methyl-3-(2-methyl-6-nitrophenyl)aniline
CID 100971309
1-methyl-3-nitro-2-phenylbenzene
CID 12733092
3-[5-(2-methyl-6-nitrophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61324872
2-(2,4-dimethyl-6-nitrophenyl)-3,5-dimethylaniline
CID 71332541
3-(2-methyl-6-nitrophenyl)-4,5-dihydro-1,2-oxazole
CID 11074534
2-methyl-3-nitro-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8914285
7-nitro-4-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 87505168
2-(4-chlorophenyl)-1-methyl-3-nitrobenzene
CID 139898701
1-methoxy-2-[5-(2-methyl-6-nitrophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636560
5-(4-methylphenyl)-3-(4-nitrophenyl)-1,2-oxazole
CID 139215074

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-6-nitrophenyl)-3-(2,4,6-trimethylphenyl)-1,2-oxazole?
The IUPAC name of 5-(2-methyl-6-nitrophenyl)-3-(2,4,6-trimethylphenyl)-1,2-oxazole (CID 71497917) is 5-(2-methyl-6-nitrophenyl)-3-(2,4,6-trimethylphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(2-methyl-6-nitrophenyl)-3-(2,4,6-trimethylphenyl)-1,2-oxazole?
The canonical SMILES for 5-(2-methyl-6-nitrophenyl)-3-(2,4,6-trimethylphenyl)-1,2-oxazole is Cc1cc(C)c(-c2cc(-c3c(C)cccc3[N+](=O)[O-])on2)c(C)c1.
What is the InChIKey of 5-(2-methyl-6-nitrophenyl)-3-(2,4,6-trimethylphenyl)-1,2-oxazole?
The InChIKey is RUBZTAQIPNBBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-11-8-13(3)18(14(4)9-11)15-10-17(24-20-15)19-12(2)6-5-7-16(19)21(22)23/h5-10H,1-4H3.
What are the key properties of 5-(2-methyl-6-nitrophenyl)-3-(2,4,6-trimethylphenyl)-1,2-oxazole?
5-(2-methyl-6-nitrophenyl)-3-(2,4,6-trimethylphenyl)-1,2-oxazole has a molecular weight of 322.36 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-6-nitrophenyl)-3-(2,4,6-trimethylphenyl)-1,2-oxazole is sourced from PubChem (CID 71497917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).