N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide

C25H17ClN2O3 — CID 17163223

IUPACN-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C25H17ClN2O3/c26-19-9-5-4-8-18(19)21-12-13-23(30-21)25(29)27-17-10-11-22-20(15-17)28-24(31-22)14-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,27,29)
InChIKeyGHIKGHNKKFOLEA-UHFFFAOYSA-N
MW428.88 g/mol
LogP6.58
Rot. Bonds5

About N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide

N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide (PubChem CID 17163223) has the molecular formula C25H17ClN2O3 and a molecular weight of 428.88 g/mol. Its IUPAC name is N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide
PubChem CID17163223
Molecular FormulaC25H17ClN2O3
Molecular Weight428.88 g/mol
Exact Mass428.09
IUPAC NameN-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C25H17ClN2O3/c26-19-9-5-4-8-18(19)21-12-13-23(30-21)25(29)27-17-10-11-22-20(15-17)28-24(31-22)14-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,27,29)
InChIKeyGHIKGHNKKFOLEA-UHFFFAOYSA-N
XLogP6.58
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.88
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide
CID 3013306
N-(2-benzyl-1,3-benzoxazol-5-yl)-3,5-dichloro-2-methoxybenzamide
CID 17163170
5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3124271
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-chloro-4-nitrobenzamide
CID 17163184
5-(2,3-dichlorophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 23966661
N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 54858481
N-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide
CID 17163179
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide
CID 30308165
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide
CID 17163167
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylsulfanylacetamide
CID 16729603
N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 3125086
5-(2,3-dichlorophenyl)-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17117093

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide (CID 17163223) is N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide is O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide?
The InChIKey is GHIKGHNKKFOLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN2O3/c26-19-9-5-4-8-18(19)21-12-13-23(30-21)25(29)27-17-10-11-22-20(15-17)28-24(31-22)14-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,27,29).
What are the key properties of N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide?
N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide has a molecular weight of 428.88 g/mol, XLogP of 6.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 17163223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).