2-methyl-3-(3-methyl-4-nitro-1,2-oxazol-5-yl)propan-1-amine

C8H13N3O3 — CID 83880458

IUPAC2-methyl-3-(3-methyl-4-nitro-1,2-oxazol-5-yl)propan-1-amine
SMILESCc1noc(CC(C)CN)c1[N+](=O)[O-]
InChIInChI=1S/C8H13N3O3/c1-5(4-9)3-7-8(11(12)13)6(2)10-14-7/h5H,3-4,9H2,1-2H3
InChIKeyHMZPOMLHBZQSKJ-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.03
Rot. Bonds4

About 2-methyl-3-(3-methyl-4-nitro-1,2-oxazol-5-yl)propan-1-amine

2-methyl-3-(3-methyl-4-nitro-1,2-oxazol-5-yl)propan-1-amine (PubChem CID 83880458) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-methyl-3-(3-methyl-4-nitro-1,2-oxazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(3-methyl-4-nitro-1,2-oxazol-5-yl)propan-1-amine
PubChem CID83880458
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-methyl-3-(3-methyl-4-nitro-1,2-oxazol-5-yl)propan-1-amine
SMILESCc1noc(CC(C)CN)c1[N+](=O)[O-]
InChIInChI=1S/C8H13N3O3/c1-5(4-9)3-7-8(11(12)13)6(2)10-14-7/h5H,3-4,9H2,1-2H3
InChIKeyHMZPOMLHBZQSKJ-UHFFFAOYSA-N
XLogP1.03
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.03
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-3-(3-methyl-4-nitro-1,2-oxazol-5-yl)propan-1-amine?
The IUPAC name of 2-methyl-3-(3-methyl-4-nitro-1,2-oxazol-5-yl)propan-1-amine (CID 83880458) is 2-methyl-3-(3-methyl-4-nitro-1,2-oxazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(3-methyl-4-nitro-1,2-oxazol-5-yl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(3-methyl-4-nitro-1,2-oxazol-5-yl)propan-1-amine is Cc1noc(CC(C)CN)c1[N+](=O)[O-].
What is the InChIKey of 2-methyl-3-(3-methyl-4-nitro-1,2-oxazol-5-yl)propan-1-amine?
The InChIKey is HMZPOMLHBZQSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-5(4-9)3-7-8(11(12)13)6(2)10-14-7/h5H,3-4,9H2,1-2H3.
What are the key properties of 2-methyl-3-(3-methyl-4-nitro-1,2-oxazol-5-yl)propan-1-amine?
2-methyl-3-(3-methyl-4-nitro-1,2-oxazol-5-yl)propan-1-amine has a molecular weight of 199.21 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methyl-4-nitro-1,2-oxazol-5-yl)propan-1-amine is sourced from PubChem (CID 83880458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).