6-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-3-amine

C9H8N4O3 — CID 106418902

IUPAC6-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-3-amine
SMILESO=[N+]([O-])c1ccc(NCc2ccno2)cn1
InChIInChI=1S/C9H8N4O3/c14-13(15)9-2-1-7(5-11-9)10-6-8-3-4-12-16-8/h1-5,10H,6H2
InChIKeyXMESEZUHLLIZFW-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.59
Rot. Bonds4

About 6-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-3-amine

6-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-3-amine (PubChem CID 106418902) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 6-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-3-amine
PubChem CID106418902
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name6-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-3-amine
SMILESO=[N+]([O-])c1ccc(NCc2ccno2)cn1
InChIInChI=1S/C9H8N4O3/c14-13(15)9-2-1-7(5-11-9)10-6-8-3-4-12-16-8/h1-5,10H,6H2
InChIKeyXMESEZUHLLIZFW-UHFFFAOYSA-N
XLogP1.59
TPSA94.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
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

4-methyl-3-nitro-N-(1,2-oxazol-5-ylmethyl)aniline
CID 113220621
N-[(3,4-difluorophenyl)methyl]-6-nitropyridin-3-amine
CID 55070897
N-benzyl-6-nitropyridin-3-amine
CID 55024435
2-nitro-5-(1,2-oxazol-5-ylmethylamino)benzonitrile
CID 106417672
N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62658550
2-[(6-nitro-3-pyridinyl)amino]acetamide
CID 62544384
N-[2-(furan-2-yl)ethyl]-6-nitropyridin-3-amine
CID 60631962
4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine
CID 103952381
6-nitro-N-(4,4,4-trifluorobutyl)pyridin-3-amine
CID 79040122
N-[(3-bromothiophen-2-yl)methyl]-6-nitropyridin-3-amine
CID 78992969
N-cyclopropyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62664493
6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
CID 115633982

Frequently Asked Questions

What is the IUPAC name of 6-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-3-amine?
The IUPAC name of 6-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-3-amine (CID 106418902) is 6-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 6-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-3-amine?
The canonical SMILES for 6-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-3-amine is O=[N+]([O-])c1ccc(NCc2ccno2)cn1.
What is the InChIKey of 6-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-3-amine?
The InChIKey is XMESEZUHLLIZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c14-13(15)9-2-1-7(5-11-9)10-6-8-3-4-12-16-8/h1-5,10H,6H2.
What are the key properties of 6-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-3-amine?
6-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-3-amine has a molecular weight of 220.19 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 106418902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).