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

C15H17N3O4 — CID 75519253

IUPACN-cyclobutyl-N-methyl-3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(C(=O)C1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CCC1
InChIInChI=1S/C15H17N3O4/c1-17(10-5-4-6-10)15(19)14-9-12(16-22-14)11-7-2-3-8-13(11)18(20)21/h2-3,7-8,10,14H,4-6,9H2,1H3
InChIKeyUMQNRUAGNONCDE-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.10
Rot. Bonds4

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

N-cyclobutyl-N-methyl-3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 75519253) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-cyclobutyl-N-methyl-3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-methyl-3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID75519253
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC NameN-cyclobutyl-N-methyl-3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(C(=O)C1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CCC1
InChIInChI=1S/C15H17N3O4/c1-17(10-5-4-6-10)15(19)14-9-12(16-22-14)11-7-2-3-8-13(11)18(20)21/h2-3,7-8,10,14H,4-6,9H2,1H3
InChIKeyUMQNRUAGNONCDE-UHFFFAOYSA-N
XLogP2.10
TPSA85.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-methyl-3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-cyclobutyl-N-methyl-3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 75519253) is N-cyclobutyl-N-methyl-3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-methyl-3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-cyclobutyl-N-methyl-3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CN(C(=O)C1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-methyl-3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is UMQNRUAGNONCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-17(10-5-4-6-10)15(19)14-9-12(16-22-14)11-7-2-3-8-13(11)18(20)21/h2-3,7-8,10,14H,4-6,9H2,1H3.
What are the key properties of N-cyclobutyl-N-methyl-3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-cyclobutyl-N-methyl-3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-methyl-3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 75519253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).