N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide

C25H16Cl2N2O3 — CID 17110627

IUPACN-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
SMILESO=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C25H16Cl2N2O3/c26-18-5-3-4-17(23(18)27)20-12-13-22(31-20)24(30)28-14-15-8-10-16(11-9-15)25-29-19-6-1-2-7-21(19)32-25/h1-13H,14H2,(H,28,30)
InChIKeyDVCHEVMPYJQHIG-UHFFFAOYSA-N
MW463.32 g/mol
LogP6.99
Rot. Bonds5

About N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide

N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide (PubChem CID 17110627) has the molecular formula C25H16Cl2N2O3 and a molecular weight of 463.32 g/mol. Its IUPAC name is N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
PubChem CID17110627
Molecular FormulaC25H16Cl2N2O3
Molecular Weight463.32 g/mol
Exact Mass462.05
IUPAC NameN-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
SMILESO=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C25H16Cl2N2O3/c26-18-5-3-4-17(23(18)27)20-12-13-22(31-20)24(30)28-14-15-8-10-16(11-9-15)25-29-19-6-1-2-7-21(19)32-25/h1-13H,14H2,(H,28,30)
InChIKeyDVCHEVMPYJQHIG-UHFFFAOYSA-N
XLogP6.99
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.32
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dichlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]furan-2-carboxamide
CID 47010120
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17100829
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 17100815
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide
CID 2994943
5-(2,3-dichlorophenyl)-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17117093
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 17335206
5-(4-chlorophenyl)-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 17078844
5-(2,3-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 3810795
5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 9083579
5-(2,3-dichlorophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 23966661
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-4-chlorobenzamide
CID 22777679
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 1259117

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide (CID 17110627) is N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide is O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The InChIKey is DVCHEVMPYJQHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2N2O3/c26-18-5-3-4-17(23(18)27)20-12-13-22(31-20)24(30)28-14-15-8-10-16(11-9-15)25-29-19-6-1-2-7-21(19)32-25/h1-13H,14H2,(H,28,30).
What are the key properties of N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide?
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide has a molecular weight of 463.32 g/mol, XLogP of 6.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 17110627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).