5-nitro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine

C15H13N5O3 — CID 133363978

IUPAC5-nitro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine
SMILESCC(Nc1ccc([N+](=O)[O-])cn1)c1noc(-c2ccccc2)n1
InChIInChI=1S/C15H13N5O3/c1-10(17-13-8-7-12(9-16-13)20(21)22)14-18-15(23-19-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,16,17)
InChIKeyYXMXAOWDCKSGPI-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.21
Rot. Bonds5

About 5-nitro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine

5-nitro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine (PubChem CID 133363978) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 5-nitro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine
PubChem CID133363978
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Name5-nitro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine
SMILESCC(Nc1ccc([N+](=O)[O-])cn1)c1noc(-c2ccccc2)n1
InChIInChI=1S/C15H13N5O3/c1-10(17-13-8-7-12(9-16-13)20(21)22)14-18-15(23-19-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,16,17)
InChIKeyYXMXAOWDCKSGPI-UHFFFAOYSA-N
XLogP3.21
TPSA106.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-nitro-N-(1-phenylethyl)pyridin-2-amine
CID 571172
6-methyl-2-(3-nitrophenyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 133363935
N-(2-methyl-1-phenylpropyl)-5-nitropyridin-2-amine
CID 16962694
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
CID 30994278
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 30640632
N-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 7230667
2-[5-(4-nitrophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62652246
2-nitro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethylsulfonyl)aniline
CID 133363960
5-nitro-N-[1-(4-phenylphenyl)ethyl]pyrimidin-2-amine
CID 133467183
5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
CID 99802719
N-tert-butyl-2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 112687594
5-nitro-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 97317778

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-nitro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine (CID 133363978) is 5-nitro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-nitro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine is CC(Nc1ccc([N+](=O)[O-])cn1)c1noc(-c2ccccc2)n1.
What is the InChIKey of 5-nitro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine?
The InChIKey is YXMXAOWDCKSGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c1-10(17-13-8-7-12(9-16-13)20(21)22)14-18-15(23-19-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,16,17).
What are the key properties of 5-nitro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine?
5-nitro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine has a molecular weight of 311.30 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 133363978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).