4-ethyl-3-(2-methyl-5-nitrophenyl)-1,2-oxazol-5-amine

C12H13N3O3 — CID 61290377

IUPAC4-ethyl-3-(2-methyl-5-nitrophenyl)-1,2-oxazol-5-amine
SMILESCCc1c(-c2cc([N+](=O)[O-])ccc2C)noc1N
InChIInChI=1S/C12H13N3O3/c1-3-9-11(14-18-12(9)13)10-6-8(15(16)17)5-4-7(10)2/h4-6H,3,13H2,1-2H3
InChIKeyJABSITDTQIZQMN-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.70
Rot. Bonds3

About 4-ethyl-3-(2-methyl-5-nitrophenyl)-1,2-oxazol-5-amine

4-ethyl-3-(2-methyl-5-nitrophenyl)-1,2-oxazol-5-amine (PubChem CID 61290377) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-ethyl-3-(2-methyl-5-nitrophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-ethyl-3-(2-methyl-5-nitrophenyl)-1,2-oxazol-5-amine
PubChem CID61290377
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name4-ethyl-3-(2-methyl-5-nitrophenyl)-1,2-oxazol-5-amine
SMILESCCc1c(-c2cc([N+](=O)[O-])ccc2C)noc1N
InChIInChI=1S/C12H13N3O3/c1-3-9-11(14-18-12(9)13)10-6-8(15(16)17)5-4-7(10)2/h4-6H,3,13H2,1-2H3
InChIKeyJABSITDTQIZQMN-UHFFFAOYSA-N
XLogP2.70
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.70
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

3-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazol-5-amine
CID 62469803
3-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1,2-oxazol-5-amine
CID 107122508
4-ethyl-5-(2-methyl-5-nitrophenyl)-1H-pyrazol-3-amine
CID 61292087
(1S,2S)-2-methyl-1-[3-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900059
3-(2-methyl-5-nitrophenyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 55096432
3-amino-4-ethyl-5-(2-methyl-5-nitrophenyl)thiophene-2-carboxylic acid
CID 83035299
5-(2-chloroethyl)-3-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazole
CID 62099503
3-chloro-5-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazole
CID 112571859
2-[3-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 63561053
3-[3-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346286
3-methyl-1-[3-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344854
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-nitroaniline
CID 61279765

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(2-methyl-5-nitrophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-ethyl-3-(2-methyl-5-nitrophenyl)-1,2-oxazol-5-amine (CID 61290377) is 4-ethyl-3-(2-methyl-5-nitrophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-ethyl-3-(2-methyl-5-nitrophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-ethyl-3-(2-methyl-5-nitrophenyl)-1,2-oxazol-5-amine is CCc1c(-c2cc([N+](=O)[O-])ccc2C)noc1N.
What is the InChIKey of 4-ethyl-3-(2-methyl-5-nitrophenyl)-1,2-oxazol-5-amine?
The InChIKey is JABSITDTQIZQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-3-9-11(14-18-12(9)13)10-6-8(15(16)17)5-4-7(10)2/h4-6H,3,13H2,1-2H3.
What are the key properties of 4-ethyl-3-(2-methyl-5-nitrophenyl)-1,2-oxazol-5-amine?
4-ethyl-3-(2-methyl-5-nitrophenyl)-1,2-oxazol-5-amine has a molecular weight of 247.25 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(2-methyl-5-nitrophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 61290377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).