4-nitro-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine

C10H10N4O3 — CID 81170399

IUPAC4-nitro-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine
SMILESNc1cc([N+](=O)[O-])ccc1NCc1ccon1
InChIInChI=1S/C10H10N4O3/c11-9-5-8(14(15)16)1-2-10(9)12-6-7-3-4-17-13-7/h1-5,12H,6,11H2
InChIKeyNEUZDTXJZQWOPW-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.78
Rot. Bonds4

About 4-nitro-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine

4-nitro-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine (PubChem CID 81170399) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-nitro-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-nitro-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine
PubChem CID81170399
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name4-nitro-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine
SMILESNc1cc([N+](=O)[O-])ccc1NCc1ccon1
InChIInChI=1S/C10H10N4O3/c11-9-5-8(14(15)16)1-2-10(9)12-6-7-3-4-17-13-7/h1-5,12H,6,11H2
InChIKeyNEUZDTXJZQWOPW-UHFFFAOYSA-N
XLogP1.78
TPSA107.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-N-(1,2-oxazol-3-ylmethyl)aniline
CID 79492288
4-nitro-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 62506127
1-N-[(5-methylpyrazin-2-yl)methyl]-4-nitrobenzene-1,2-diamine
CID 55122037
4-(difluoromethyl)-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine
CID 112737532
2-nitro-N-(1,2-oxazol-3-ylmethyl)-4-(trifluoromethyl)aniline
CID 79492292
4-amino-N,N-dimethyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide
CID 82900882
ethyl 3-amino-4-(1,2-oxazol-3-ylmethylamino)benzoate
CID 81177419
1-(4-nitrophenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 79822798
4-amino-N-methyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide
CID 82900736
2-hydrazinyl-5-nitroaniline
CID 130769325
1-N-butyl-4-nitrobenzene-1,2-diamine
CID 15327518
5-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-6-amine
CID 79488548

Frequently Asked Questions

What is the IUPAC name of 4-nitro-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 4-nitro-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine (CID 81170399) is 4-nitro-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-nitro-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 4-nitro-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine is Nc1cc([N+](=O)[O-])ccc1NCc1ccon1.
What is the InChIKey of 4-nitro-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine?
The InChIKey is NEUZDTXJZQWOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c11-9-5-8(14(15)16)1-2-10(9)12-6-7-3-4-17-13-7/h1-5,12H,6,11H2.
What are the key properties of 4-nitro-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine?
4-nitro-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine has a molecular weight of 234.22 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 81170399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).