N-tert-butyl-2-[(6-nitro-1,3-benzoxazol-2-yl)amino]acetamide

C13H16N4O4 — CID 115356783

IUPACN-tert-butyl-2-[(6-nitro-1,3-benzoxazol-2-yl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1nc2ccc([N+](=O)[O-])cc2o1
InChIInChI=1S/C13H16N4O4/c1-13(2,3)16-11(18)7-14-12-15-9-5-4-8(17(19)20)6-10(9)21-12/h4-6H,7H2,1-3H3,(H,14,15)(H,16,18)
InChIKeyJMFODWZMDMWEHM-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.06
Rot. Bonds4

About N-tert-butyl-2-[(6-nitro-1,3-benzoxazol-2-yl)amino]acetamide

N-tert-butyl-2-[(6-nitro-1,3-benzoxazol-2-yl)amino]acetamide (PubChem CID 115356783) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-tert-butyl-2-[(6-nitro-1,3-benzoxazol-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(6-nitro-1,3-benzoxazol-2-yl)amino]acetamide
PubChem CID115356783
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC NameN-tert-butyl-2-[(6-nitro-1,3-benzoxazol-2-yl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1nc2ccc([N+](=O)[O-])cc2o1
InChIInChI=1S/C13H16N4O4/c1-13(2,3)16-11(18)7-14-12-15-9-5-4-8(17(19)20)6-10(9)21-12/h4-6H,7H2,1-3H3,(H,14,15)(H,16,18)
InChIKeyJMFODWZMDMWEHM-UHFFFAOYSA-N
XLogP2.06
TPSA110.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-tert-butyl-2-[(5-nitro-1,3-benzoxazol-2-yl)amino]acetamide
CID 115356784
N-(2-methylprop-2-enyl)-6-nitro-1,3-benzoxazol-2-amine
CID 114617582
2-methyl-1-[(6-nitro-1,3-benzoxazol-2-yl)amino]propan-2-ol
CID 79883984
N-(2-chloroprop-2-enyl)-6-nitro-1,3-benzoxazol-2-amine
CID 113464717
2,2-dimethyl-3-[(6-nitro-1,3-benzoxazol-2-yl)amino]propanamide
CID 106277767
2-(1,3-benzoxazol-2-ylamino)-N-tert-butylacetamide
CID 36581358
N,N-dimethyl-3-[(6-nitro-1,3-benzoxazol-2-yl)amino]propanamide
CID 79882379
6-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-benzoxazol-2-amine
CID 79883988
N-butyl-6-nitro-1,3-benzoxazol-2-amine
CID 12711470
N-ethyl-N'-(6-nitro-1,3-benzoxazol-2-yl)propane-1,3-diamine
CID 79881765
N-(2-methylbutyl)-6-nitro-1,3-benzoxazol-2-amine
CID 79881459
N-cyclopropyl-3-[(6-nitro-1,3-benzoxazol-2-yl)amino]propanamide
CID 79883994

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(6-nitro-1,3-benzoxazol-2-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(6-nitro-1,3-benzoxazol-2-yl)amino]acetamide (CID 115356783) is N-tert-butyl-2-[(6-nitro-1,3-benzoxazol-2-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(6-nitro-1,3-benzoxazol-2-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(6-nitro-1,3-benzoxazol-2-yl)amino]acetamide is CC(C)(C)NC(=O)CNc1nc2ccc([N+](=O)[O-])cc2o1.
What is the InChIKey of N-tert-butyl-2-[(6-nitro-1,3-benzoxazol-2-yl)amino]acetamide?
The InChIKey is JMFODWZMDMWEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-13(2,3)16-11(18)7-14-12-15-9-5-4-8(17(19)20)6-10(9)21-12/h4-6H,7H2,1-3H3,(H,14,15)(H,16,18).
What are the key properties of N-tert-butyl-2-[(6-nitro-1,3-benzoxazol-2-yl)amino]acetamide?
N-tert-butyl-2-[(6-nitro-1,3-benzoxazol-2-yl)amino]acetamide has a molecular weight of 292.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(6-nitro-1,3-benzoxazol-2-yl)amino]acetamide is sourced from PubChem (CID 115356783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).