5-nitro-N-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]pyridin-2-amine

C13H15N5O3 — CID 71986749

IUPAC5-nitro-N-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NC2CCN(Cc3ccon3)C2)nc1
InChIInChI=1S/C13H15N5O3/c19-18(20)12-1-2-13(14-7-12)15-10-3-5-17(8-10)9-11-4-6-21-16-11/h1-2,4,6-7,10H,3,5,8-9H2,(H,14,15)
InChIKeyNQPAFOYTBXDCRV-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.66
Rot. Bonds5

About 5-nitro-N-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]pyridin-2-amine

5-nitro-N-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]pyridin-2-amine (PubChem CID 71986749) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 5-nitro-N-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]pyridin-2-amine
PubChem CID71986749
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name5-nitro-N-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NC2CCN(Cc3ccon3)C2)nc1
InChIInChI=1S/C13H15N5O3/c19-18(20)12-1-2-13(14-7-12)15-10-3-5-17(8-10)9-11-4-6-21-16-11/h1-2,4,6-7,10H,3,5,8-9H2,(H,14,15)
InChIKeyNQPAFOYTBXDCRV-UHFFFAOYSA-N
XLogP1.66
TPSA97.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.66
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-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]pyridin-2-amine
CID 56806094
N-[(3R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]-5-nitropyridin-2-amine
CID 95901073
N-[(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]-5-nitropyridin-2-amine
CID 95901084
5-nitro-N-[(3S)-1-[[(2S)-oxan-2-yl]methyl]pyrrolidin-3-yl]pyridin-2-amine
CID 96519854
5-fluoro-2-[[(3S)-3-[(5-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]methyl]benzonitrile
CID 97076768
N-[1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-5-nitropyridin-2-amine
CID 75496969
5-nitro-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 60667091
(1S)-1-(4-methylphenyl)-2-[(3S)-3-[(5-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]ethanol
CID 95901077
5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine
CID 133305273
N-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 32884003
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-nitropyridin-2-amine
CID 47054301
1-(3-fluorophenyl)-2-[3-[(5-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]ethanol
CID 71986752

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 5-nitro-N-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]pyridin-2-amine (CID 71986749) is 5-nitro-N-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 5-nitro-N-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]pyridin-2-amine is O=[N+]([O-])c1ccc(NC2CCN(Cc3ccon3)C2)nc1.
What is the InChIKey of 5-nitro-N-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is NQPAFOYTBXDCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c19-18(20)12-1-2-13(14-7-12)15-10-3-5-17(8-10)9-11-4-6-21-16-11/h1-2,4,6-7,10H,3,5,8-9H2,(H,14,15).
What are the key properties of 5-nitro-N-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]pyridin-2-amine?
5-nitro-N-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 289.30 g/mol, XLogP of 1.66, 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-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 71986749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).