2-methyl-N-[[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine

C15H19N3O3 — CID 65183975

IUPAC2-methyl-N-[[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCc1c(-c2cnc(CNC(C)(C)C)o2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O3/c1-10-11(6-5-7-12(10)18(19)20)13-8-16-14(21-13)9-17-15(2,3)4/h5-8,17H,9H2,1-4H3
InChIKeyBGLUWMBLPPAAMK-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.45
Rot. Bonds4

About 2-methyl-N-[[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine (PubChem CID 65183975) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
PubChem CID65183975
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-methyl-N-[[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCc1c(-c2cnc(CNC(C)(C)C)o2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O3/c1-10-11(6-5-7-12(10)18(19)20)13-8-16-14(21-13)9-17-15(2,3)4/h5-8,17H,9H2,1-4H3
InChIKeyBGLUWMBLPPAAMK-UHFFFAOYSA-N
XLogP3.45
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.45
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine (CID 65183975) is 2-methyl-N-[[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine is Cc1c(-c2cnc(CNC(C)(C)C)o2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-N-[[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The InChIKey is BGLUWMBLPPAAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-11(6-5-7-12(10)18(19)20)13-8-16-14(21-13)9-17-15(2,3)4/h5-8,17H,9H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine has a molecular weight of 289.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 65183975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).