N-cyclopentyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide

C10H13N3O4 — CID 20864740

IUPACN-cyclopentyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NC2CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O4/c1-6-9(13(15)16)8(12-17-6)10(14)11-7-4-2-3-5-7/h7H,2-5H2,1H3,(H,11,14)
InChIKeyCXVJFUFBJSBIIN-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.56
Rot. Bonds3

About N-cyclopentyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide

N-cyclopentyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide (PubChem CID 20864740) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is N-cyclopentyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
PubChem CID20864740
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC NameN-cyclopentyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NC2CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O4/c1-6-9(13(15)16)8(12-17-6)10(14)11-7-4-2-3-5-7/h7H,2-5H2,1H3,(H,11,14)
InChIKeyCXVJFUFBJSBIIN-UHFFFAOYSA-N
XLogP1.56
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.56
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 N-cyclopentyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide (CID 20864740) is N-cyclopentyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)NC2CCCC2)c1[N+](=O)[O-].
What is the InChIKey of N-cyclopentyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide?
The InChIKey is CXVJFUFBJSBIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-6-9(13(15)16)8(12-17-6)10(14)11-7-4-2-3-5-7/h7H,2-5H2,1H3,(H,11,14).
What are the key properties of N-cyclopentyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide?
N-cyclopentyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide has a molecular weight of 239.23 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-methyl-4-nitro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 20864740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).