3-methyl-5-(3-nitrophenyl)-1,2-oxazole;N-(2-pyridin-4-ylethyl)formamide

C18H18N4O4 — CID 143500862

IUPAC3-methyl-5-(3-nitrophenyl)-1,2-oxazole;N-(2-pyridin-4-ylethyl)formamide
SMILESCc1cc(-c2cccc([N+](=O)[O-])c2)on1.O=CNCCc1ccncc1
InChIInChI=1S/C10H8N2O3.C8H10N2O/c1-7-5-10(15-11-7)8-3-2-4-9(6-8)12(13)14;11-7-10-6-3-8-1-4-9-5-2-8/h2-6H,1H3;1-2,4-5,7H,3,6H2,(H,10,11)
InChIKeyUNGKAAAGUVZWNW-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.93
Rot. Bonds6

About 3-methyl-5-(3-nitrophenyl)-1,2-oxazole;N-(2-pyridin-4-ylethyl)formamide

3-methyl-5-(3-nitrophenyl)-1,2-oxazole;N-(2-pyridin-4-ylethyl)formamide (PubChem CID 143500862) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 3-methyl-5-(3-nitrophenyl)-1,2-oxazole;N-(2-pyridin-4-ylethyl)formamide.

Molecular Properties

Compound Name3-methyl-5-(3-nitrophenyl)-1,2-oxazole;N-(2-pyridin-4-ylethyl)formamide
PubChem CID143500862
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name3-methyl-5-(3-nitrophenyl)-1,2-oxazole;N-(2-pyridin-4-ylethyl)formamide
SMILESCc1cc(-c2cccc([N+](=O)[O-])c2)on1.O=CNCCc1ccncc1
InChIInChI=1S/C10H8N2O3.C8H10N2O/c1-7-5-10(15-11-7)8-3-2-4-9(6-8)12(13)14;11-7-10-6-3-8-1-4-9-5-2-8/h2-6H,1H3;1-2,4-5,7H,3,6H2,(H,10,11)
InChIKeyUNGKAAAGUVZWNW-UHFFFAOYSA-N
XLogP2.93
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-nitrophenyl)ethyl]formamide
CID 64992334
6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 47053519
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-nitrophenyl)benzenesulfonamide
CID 46336603
4-[3-(3-nitrophenyl)propyl]pyridine;hydroiodide
CID 174146036
nitric acid;4-(3-nitrophenyl)pyridine
CID 71334650
1,1-dimethoxyethane;4-(3-nitrophenyl)pyridine
CID 139939427
3-(3-methyl-1,2-oxazol-5-yl)benzenesulfinate
CID 68532837
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-nitroaniline
CID 60720600
3-methyl-N-(3-nitrophenyl)-N-propyl-1,2-oxazole-5-carboxamide
CID 167820065
N-[2-[5-(3-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182866
2-iodo-4-nitro-N-(2-pyridin-4-ylethyl)aniline
CID 66095940

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-nitrophenyl)-1,2-oxazole;N-(2-pyridin-4-ylethyl)formamide?
The IUPAC name of 3-methyl-5-(3-nitrophenyl)-1,2-oxazole;N-(2-pyridin-4-ylethyl)formamide (CID 143500862) is 3-methyl-5-(3-nitrophenyl)-1,2-oxazole;N-(2-pyridin-4-ylethyl)formamide.
What is the SMILES notation for 3-methyl-5-(3-nitrophenyl)-1,2-oxazole;N-(2-pyridin-4-ylethyl)formamide?
The canonical SMILES for 3-methyl-5-(3-nitrophenyl)-1,2-oxazole;N-(2-pyridin-4-ylethyl)formamide is Cc1cc(-c2cccc([N+](=O)[O-])c2)on1.O=CNCCc1ccncc1.
What is the InChIKey of 3-methyl-5-(3-nitrophenyl)-1,2-oxazole;N-(2-pyridin-4-ylethyl)formamide?
The InChIKey is UNGKAAAGUVZWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3.C8H10N2O/c1-7-5-10(15-11-7)8-3-2-4-9(6-8)12(13)14;11-7-10-6-3-8-1-4-9-5-2-8/h2-6H,1H3;1-2,4-5,7H,3,6H2,(H,10,11).
What are the key properties of 3-methyl-5-(3-nitrophenyl)-1,2-oxazole;N-(2-pyridin-4-ylethyl)formamide?
3-methyl-5-(3-nitrophenyl)-1,2-oxazole;N-(2-pyridin-4-ylethyl)formamide has a molecular weight of 354.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-nitrophenyl)-1,2-oxazole;N-(2-pyridin-4-ylethyl)formamide is sourced from PubChem (CID 143500862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).