7-chloro-2-(3-nitrophenyl)-[1,3]oxazolo[5,4-d]pyrimidine;methanamine

C12H10ClN5O3 — CID 158563316

IUPAC7-chloro-2-(3-nitrophenyl)-[1,3]oxazolo[5,4-d]pyrimidine;methanamine
SMILESCN.O=[N+]([O-])c1cccc(-c2nc3c(Cl)ncnc3o2)c1
InChIInChI=1S/C11H5ClN4O3.CH5N/c12-9-8-11(14-5-13-9)19-10(15-8)6-2-1-3-7(4-6)16(17)18;1-2/h1-5H;2H2,1H3
InChIKeyHRDULYAHVZYXES-UHFFFAOYSA-N
MW307.70 g/mol
LogP2.42
Rot. Bonds2

About 7-chloro-2-(3-nitrophenyl)-[1,3]oxazolo[5,4-d]pyrimidine;methanamine

7-chloro-2-(3-nitrophenyl)-[1,3]oxazolo[5,4-d]pyrimidine;methanamine (PubChem CID 158563316) has the molecular formula C12H10ClN5O3 and a molecular weight of 307.70 g/mol. Its IUPAC name is 7-chloro-2-(3-nitrophenyl)-[1,3]oxazolo[5,4-d]pyrimidine;methanamine.

Molecular Properties

Compound Name7-chloro-2-(3-nitrophenyl)-[1,3]oxazolo[5,4-d]pyrimidine;methanamine
PubChem CID158563316
Molecular FormulaC12H10ClN5O3
Molecular Weight307.70 g/mol
Exact Mass307.05
IUPAC Name7-chloro-2-(3-nitrophenyl)-[1,3]oxazolo[5,4-d]pyrimidine;methanamine
SMILESCN.O=[N+]([O-])c1cccc(-c2nc3c(Cl)ncnc3o2)c1
InChIInChI=1S/C11H5ClN4O3.CH5N/c12-9-8-11(14-5-13-9)19-10(15-8)6-2-1-3-7(4-6)16(17)18;1-2/h1-5H;2H2,1H3
InChIKeyHRDULYAHVZYXES-UHFFFAOYSA-N
XLogP2.42
TPSA120.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.70
LogP ≤ 52.42
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'}

Analyze 7-chloro-2-(3-nitrophenyl)-[1,3]oxazolo[5,4-d]pyrimidine;methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-nitrophenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 14401275
8-methyl-2-(3-nitrophenyl)-3,1-benzoxazin-4-one
CID 728392
2-chloro-4-(3-nitrophenyl)-1,3,5-triazine
CID 50998940
2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 2806323
5-methyl-2-(3-nitrophenyl)-1,3-oxazole-4-carboxylic acid
CID 62232635
5-bromo-2-(3-nitrophenyl)-1,3-benzoxazole
CID 177345342
2-(3-nitrophenyl)-[1,3]oxazolo[5,4-c]pyridine
CID 59680369
2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 21205474
2-(4-methylphenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 785031
5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine
CID 63692611
2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 781502
2-[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]ethanol
CID 25147932

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(3-nitrophenyl)-[1,3]oxazolo[5,4-d]pyrimidine;methanamine?
The IUPAC name of 7-chloro-2-(3-nitrophenyl)-[1,3]oxazolo[5,4-d]pyrimidine;methanamine (CID 158563316) is 7-chloro-2-(3-nitrophenyl)-[1,3]oxazolo[5,4-d]pyrimidine;methanamine.
What is the SMILES notation for 7-chloro-2-(3-nitrophenyl)-[1,3]oxazolo[5,4-d]pyrimidine;methanamine?
The canonical SMILES for 7-chloro-2-(3-nitrophenyl)-[1,3]oxazolo[5,4-d]pyrimidine;methanamine is CN.O=[N+]([O-])c1cccc(-c2nc3c(Cl)ncnc3o2)c1.
What is the InChIKey of 7-chloro-2-(3-nitrophenyl)-[1,3]oxazolo[5,4-d]pyrimidine;methanamine?
The InChIKey is HRDULYAHVZYXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClN4O3.CH5N/c12-9-8-11(14-5-13-9)19-10(15-8)6-2-1-3-7(4-6)16(17)18;1-2/h1-5H;2H2,1H3.
What are the key properties of 7-chloro-2-(3-nitrophenyl)-[1,3]oxazolo[5,4-d]pyrimidine;methanamine?
7-chloro-2-(3-nitrophenyl)-[1,3]oxazolo[5,4-d]pyrimidine;methanamine has a molecular weight of 307.70 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(3-nitrophenyl)-[1,3]oxazolo[5,4-d]pyrimidine;methanamine is sourced from PubChem (CID 158563316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).