N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine

C10H10N4O3 — CID 47406157

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine
SMILESCc1cc(CNc2ccc([N+](=O)[O-])cn2)no1
InChIInChI=1S/C10H10N4O3/c1-7-4-8(13-17-7)5-11-10-3-2-9(6-12-10)14(15)16/h2-4,6H,5H2,1H3,(H,11,12)
InChIKeyKYXPKDLRAJQGSW-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.90
Rot. Bonds4

About N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine (PubChem CID 47406157) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine
PubChem CID47406157
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine
SMILESCc1cc(CNc2ccc([N+](=O)[O-])cn2)no1
InChIInChI=1S/C10H10N4O3/c1-7-4-8(13-17-7)5-11-10-3-2-9(6-12-10)14(15)16/h2-4,6H,5H2,1H3,(H,11,12)
InChIKeyKYXPKDLRAJQGSW-UHFFFAOYSA-N
XLogP1.90
TPSA94.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.90
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

3-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine
CID 79534435
2-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-nitroaniline
CID 47406152
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
4-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,5-diamine
CID 79175930
N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine
CID 17416767
5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-nitroaniline
CID 65341784
4-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitroaniline
CID 30147587
1-N-ethyl-3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-nitrobenzene-1,3-diamine
CID 80814125
5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 78990691
5-nitro-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 133275091
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitro-2-(trifluoromethyl)pyridin-4-amine
CID 106749195
6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 80902807

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine (CID 47406157) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine is Cc1cc(CNc2ccc([N+](=O)[O-])cn2)no1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine?
The InChIKey is KYXPKDLRAJQGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-7-4-8(13-17-7)5-11-10-3-2-9(6-12-10)14(15)16/h2-4,6H,5H2,1H3,(H,11,12).
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine has a molecular weight of 234.22 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 47406157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).