N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide

C12H15N5O5 — CID 19558273

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
SMILESCOc1nn(CCC(=O)Nc2c(C)noc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15N5O5/c1-7-11(8(2)22-15-7)13-10(18)4-5-16-6-9(17(19)20)12(14-16)21-3/h6H,4-5H2,1-3H3,(H,13,18)
InChIKeyVHMYPILFKZQJAI-UHFFFAOYSA-N
MW309.28 g/mol
LogP1.43
Rot. Bonds6

About N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide

N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide (PubChem CID 19558273) has the molecular formula C12H15N5O5 and a molecular weight of 309.28 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
PubChem CID19558273
Molecular FormulaC12H15N5O5
Molecular Weight309.28 g/mol
Exact Mass309.11
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
SMILESCOc1nn(CCC(=O)Nc2c(C)noc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15N5O5/c1-7-11(8(2)22-15-7)13-10(18)4-5-16-6-9(17(19)20)12(14-16)21-3/h6H,4-5H2,1-3H3,(H,13,18)
InChIKeyVHMYPILFKZQJAI-UHFFFAOYSA-N
XLogP1.43
TPSA125.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide
CID 7018447
3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide
CID 19558098
N-(2-hydroxy-5-nitrophenyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19558283
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19557989
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19559526
methyl 5-carbamoyl-2-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]-4-methylthiophene-3-carboxylate
CID 19558064
4-[(3-methoxy-4-nitropyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 19623178
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-3,5-dinitrophenyl)acetamide
CID 19516344
N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539994
N-(1-adamantylmethyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19558140
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19558144
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539875

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide (CID 19558273) is N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide is COc1nn(CCC(=O)Nc2c(C)noc2C)cc1[N+](=O)[O-].
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide?
The InChIKey is VHMYPILFKZQJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O5/c1-7-11(8(2)22-15-7)13-10(18)4-5-16-6-9(17(19)20)12(14-16)21-3/h6H,4-5H2,1-3H3,(H,13,18).
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide has a molecular weight of 309.28 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19558273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).