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

C10H9N3O3 — CID 79492288

IUPAC4-nitro-N-(1,2-oxazol-3-ylmethyl)aniline
SMILESO=[N+]([O-])c1ccc(NCc2ccon2)cc1
InChIInChI=1S/C10H9N3O3/c14-13(15)10-3-1-8(2-4-10)11-7-9-5-6-16-12-9/h1-6,11H,7H2
InChIKeyAWGXWPZFVWQWIH-UHFFFAOYSA-N
MW219.20 g/mol
LogP2.19
Rot. Bonds4

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

4-nitro-N-(1,2-oxazol-3-ylmethyl)aniline (PubChem CID 79492288) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 4-nitro-N-(1,2-oxazol-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-nitro-N-(1,2-oxazol-3-ylmethyl)aniline
PubChem CID79492288
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name4-nitro-N-(1,2-oxazol-3-ylmethyl)aniline
SMILESO=[N+]([O-])c1ccc(NCc2ccon2)cc1
InChIInChI=1S/C10H9N3O3/c14-13(15)10-3-1-8(2-4-10)11-7-9-5-6-16-12-9/h1-6,11H,7H2
InChIKeyAWGXWPZFVWQWIH-UHFFFAOYSA-N
XLogP2.19
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 52.19
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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Related Compounds

4-nitro-1-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine
CID 81170399
1-(4-nitrophenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 79822798
4-(1,2-oxazol-3-ylmethylamino)benzoic acid
CID 81178228
N-(1,2-oxazol-3-ylmethyl)-4-(trifluoromethylsulfonyl)aniline
CID 79492911
4-nitro-N-(pyrimidin-5-ylmethyl)aniline
CID 62758232
4-nitro-N-(pyridin-4-ylmethyl)aniline
CID 3927656
1-methyl-4-nitro-N-(1,2-oxazol-3-ylmethyl)pyrazol-3-amine
CID 103080032
N-[(3-methylfuran-2-yl)methyl]-4-nitroaniline
CID 113488635
5-methyl-3-nitro-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine
CID 79493627
2-nitro-N-(1,2-oxazol-3-ylmethyl)-4-(trifluoromethyl)aniline
CID 79492292
4-methyl-N-[(4-nitrophenyl)methyl]aniline
CID 1132994
N-(1H-imidazol-5-ylmethyl)-4-nitroaniline
CID 62761933

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(1,2-oxazol-3-ylmethyl)aniline?
The IUPAC name of 4-nitro-N-(1,2-oxazol-3-ylmethyl)aniline (CID 79492288) is 4-nitro-N-(1,2-oxazol-3-ylmethyl)aniline.
What is the SMILES notation for 4-nitro-N-(1,2-oxazol-3-ylmethyl)aniline?
The canonical SMILES for 4-nitro-N-(1,2-oxazol-3-ylmethyl)aniline is O=[N+]([O-])c1ccc(NCc2ccon2)cc1.
What is the InChIKey of 4-nitro-N-(1,2-oxazol-3-ylmethyl)aniline?
The InChIKey is AWGXWPZFVWQWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-13(15)10-3-1-8(2-4-10)11-7-9-5-6-16-12-9/h1-6,11H,7H2.
What are the key properties of 4-nitro-N-(1,2-oxazol-3-ylmethyl)aniline?
4-nitro-N-(1,2-oxazol-3-ylmethyl)aniline has a molecular weight of 219.20 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(1,2-oxazol-3-ylmethyl)aniline is sourced from PubChem (CID 79492288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).