2-(3-amino-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-N-(2-nitrophenyl)acetamide

C14H15N5O4 — CID 146141561

IUPAC2-(3-amino-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-N-(2-nitrophenyl)acetamide
SMILESNc1onc2c1CN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC2
InChIInChI=1S/C14H15N5O4/c15-14-9-7-18(6-5-10(9)17-23-14)8-13(20)16-11-3-1-2-4-12(11)19(21)22/h1-4H,5-8,15H2,(H,16,20)
InChIKeyAAVWQXKVUHGSKA-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.16
Rot. Bonds4

About 2-(3-amino-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-N-(2-nitrophenyl)acetamide

2-(3-amino-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-N-(2-nitrophenyl)acetamide (PubChem CID 146141561) has the molecular formula C14H15N5O4 and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-(3-amino-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-N-(2-nitrophenyl)acetamide
PubChem CID146141561
Molecular FormulaC14H15N5O4
Molecular Weight317.30 g/mol
Exact Mass317.11
IUPAC Name2-(3-amino-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-N-(2-nitrophenyl)acetamide
SMILESNc1onc2c1CN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC2
InChIInChI=1S/C14H15N5O4/c15-14-9-7-18(6-5-10(9)17-23-14)8-13(20)16-11-3-1-2-4-12(11)19(21)22/h1-4H,5-8,15H2,(H,16,20)
InChIKeyAAVWQXKVUHGSKA-UHFFFAOYSA-N
XLogP1.16
TPSA127.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
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

2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
CID 22199010
2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide
CID 31480734
1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2919057
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 22194967
N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102987
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 3138497
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 7663979
N-(2-nitrophenyl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19523730
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 36632423
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide
CID 19516309
2-[(2S)-2-methylpiperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 82713934

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-(3-amino-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-N-(2-nitrophenyl)acetamide (CID 146141561) is 2-(3-amino-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-amino-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-amino-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-N-(2-nitrophenyl)acetamide is Nc1onc2c1CN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC2.
What is the InChIKey of 2-(3-amino-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-N-(2-nitrophenyl)acetamide?
The InChIKey is AAVWQXKVUHGSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4/c15-14-9-7-18(6-5-10(9)17-23-14)8-13(20)16-11-3-1-2-4-12(11)19(21)22/h1-4H,5-8,15H2,(H,16,20).
What are the key properties of 2-(3-amino-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-N-(2-nitrophenyl)acetamide?
2-(3-amino-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-N-(2-nitrophenyl)acetamide has a molecular weight of 317.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 146141561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).