N-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide

C14H11N5O5 — CID 7227243

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)no1
InChIInChI=1S/C14H11N5O5/c1-8-4-12(17-24-8)16-13(20)6-18-7-15-11-3-2-9(19(22)23)5-10(11)14(18)21/h2-5,7H,6H2,1H3,(H,16,17,20)
InChIKeyNOXXPCVNVDXPHK-UHFFFAOYSA-N
MW329.27 g/mol
LogP1.24
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 7227243) has the molecular formula C14H11N5O5 and a molecular weight of 329.27 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
PubChem CID7227243
Molecular FormulaC14H11N5O5
Molecular Weight329.27 g/mol
Exact Mass329.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)no1
InChIInChI=1S/C14H11N5O5/c1-8-4-12(17-24-8)16-13(20)6-18-7-15-11-3-2-9(19(22)23)5-10(11)14(18)21/h2-5,7H,6H2,1H3,(H,16,17,20)
InChIKeyNOXXPCVNVDXPHK-UHFFFAOYSA-N
XLogP1.24
TPSA133.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7886626
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 3533504
ethyl N-[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]carbamate
CID 7227310
N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84601847
ethyl 4-[[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]amino]benzoate
CID 4850916
2-(6-nitro-4-oxoquinazolin-3-yl)acetic acid
CID 2476040
N-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4826132
N-butyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 9464587
N-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7284295
N-(1,3-benzodioxol-5-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227348
2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 51286316
N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227373

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide (CID 7227243) is N-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide is Cc1cc(NC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is NOXXPCVNVDXPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O5/c1-8-4-12(17-24-8)16-13(20)6-18-7-15-11-3-2-9(19(22)23)5-10(11)14(18)21/h2-5,7H,6H2,1H3,(H,16,17,20).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 329.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 7227243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).