N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide

C24H19FN4O5 — CID 23095630

IUPACN-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide
SMILESO=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C24H19FN4O5/c25-16-3-1-15(2-4-16)24-27-20-13-17(5-8-22(20)34-24)26-23(30)19-14-18(29(31)32)6-7-21(19)28-9-11-33-12-10-28/h1-8,13-14H,9-12H2,(H,26,30)
InChIKeyQOYCVPYFBWRSAN-UHFFFAOYSA-N
MW462.44 g/mol
LogP4.63
Rot. Bonds5

About N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide

N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide (PubChem CID 23095630) has the molecular formula C24H19FN4O5 and a molecular weight of 462.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide
PubChem CID23095630
Molecular FormulaC24H19FN4O5
Molecular Weight462.44 g/mol
Exact Mass462.13
IUPAC NameN-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide
SMILESO=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C24H19FN4O5/c25-16-3-1-15(2-4-16)24-27-20-13-17(5-8-22(20)34-24)26-23(30)19-14-18(29(31)32)6-7-21(19)28-9-11-33-12-10-28/h1-8,13-14H,9-12H2,(H,26,30)
InChIKeyQOYCVPYFBWRSAN-UHFFFAOYSA-N
XLogP4.63
TPSA110.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.44
LogP ≤ 54.63
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'}

Analyze N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide 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

N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 21168545
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23095166
2-chloro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide
CID 1370148
N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 21168552
N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 21167555
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 9210247
N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17318863
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17110870
N-(2,6-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 51158852
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenyl)acetamide
CID 10982042
N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 17027158
2-morpholin-4-yl-5-nitro-N-[[2-(3-phenylquinolin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
CID 17333931

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide (CID 23095630) is N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide is O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide?
The InChIKey is QOYCVPYFBWRSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O5/c25-16-3-1-15(2-4-16)24-27-20-13-17(5-8-22(20)34-24)26-23(30)19-14-18(29(31)32)6-7-21(19)28-9-11-33-12-10-28/h1-8,13-14H,9-12H2,(H,26,30).
What are the key properties of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide?
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 462.44 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 23095630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).