N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide

C24H14ClN3O5 — CID 4020168

IUPACN-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C24H14ClN3O5/c25-16-10-9-14(24-27-17-6-2-4-8-21(17)33-24)13-18(16)26-23(29)22-12-11-20(32-22)15-5-1-3-7-19(15)28(30)31/h1-13H,(H,26,29)
InChIKeyGLPULNUCQPQUHI-UHFFFAOYSA-N
MW459.85 g/mol
LogP6.57
Rot. Bonds5

About N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide

N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide (PubChem CID 4020168) has the molecular formula C24H14ClN3O5 and a molecular weight of 459.85 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide
PubChem CID4020168
Molecular FormulaC24H14ClN3O5
Molecular Weight459.85 g/mol
Exact Mass459.06
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C24H14ClN3O5/c25-16-10-9-14(24-27-17-6-2-4-8-21(17)33-24)13-18(16)26-23(29)22-12-11-20(32-22)15-5-1-3-7-19(15)28(30)31/h1-13H,(H,26,29)
InChIKeyGLPULNUCQPQUHI-UHFFFAOYSA-N
XLogP6.57
TPSA111.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.85
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 1423465
N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 23937936
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 2911609
N-[[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 17314382
N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 17116941
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 1495055
N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 1348898
N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide
CID 3343969
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide
CID 779025
N-[2-chloro-5-(propanoylamino)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 22776195
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 5063065
5-(2-chlorophenyl)-N-(2-nitrophenyl)furan-2-carboxamide
CID 2946540

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide (CID 4020168) is N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide is O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide?
The InChIKey is GLPULNUCQPQUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClN3O5/c25-16-10-9-14(24-27-17-6-2-4-8-21(17)33-24)13-18(16)26-23(29)22-12-11-20(32-22)15-5-1-3-7-19(15)28(30)31/h1-13H,(H,26,29).
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide?
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide has a molecular weight of 459.85 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 4020168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).