N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide

C15H16N4O5 — CID 5298951

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide
SMILESCc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)no1
InChIInChI=1S/C15H16N4O5/c1-10-8-14(17-24-10)16-15(20)12-9-11(19(21)22)2-3-13(12)18-4-6-23-7-5-18/h2-3,8-9H,4-7H2,1H3,(H,16,17,20)
InChIKeyFJAMZMFNJJOGKN-UHFFFAOYSA-N
MW332.32 g/mol
LogP1.98
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide

N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide (PubChem CID 5298951) has the molecular formula C15H16N4O5 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide
PubChem CID5298951
Molecular FormulaC15H16N4O5
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide
SMILESCc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)no1
InChIInChI=1S/C15H16N4O5/c1-10-8-14(17-24-10)16-15(20)12-9-11(19(21)22)2-3-13(12)18-4-6-23-7-5-18/h2-3,8-9H,4-7H2,1H3,(H,16,17,20)
InChIKeyFJAMZMFNJJOGKN-UHFFFAOYSA-N
XLogP1.98
TPSA110.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(methylcarbamoyl)-4-nitrophenyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 133305531
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide
CID 5298949
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55700716
N-(4-bromo-3-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22777311
N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 7408771
N-(2,6-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 51158852
2-morpholin-4-yl-5-nitro-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide
CID 22778849
N-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 4028000
2-morpholin-4-yl-5-nitro-N-(2-nitrophenyl)benzamide
CID 3524695
2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
CID 7900478
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 9210247
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitrobenzamide
CID 16959511

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide (CID 5298951) is N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide is Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide?
The InChIKey is FJAMZMFNJJOGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5/c1-10-8-14(17-24-10)16-15(20)12-9-11(19(21)22)2-3-13(12)18-4-6-23-7-5-18/h2-3,8-9H,4-7H2,1H3,(H,16,17,20).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 332.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 5298951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).