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

C26H18Cl2N2O3 — CID 54858481

IUPACN-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc(Cc4nc5cc(Cl)ccc5o4)cc3)o2)cc1Cl
InChIInChI=1S/C26H18Cl2N2O3/c1-15-2-5-17(13-20(15)28)22-10-11-24(32-22)26(31)29-19-7-3-16(4-8-19)12-25-30-21-14-18(27)6-9-23(21)33-25/h2-11,13-14H,12H2,1H3,(H,29,31)
InChIKeyNNZODPLFXLJYAK-UHFFFAOYSA-N
MW477.35 g/mol
LogP7.55
Rot. Bonds5

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

N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide (PubChem CID 54858481) has the molecular formula C26H18Cl2N2O3 and a molecular weight of 477.35 g/mol. Its IUPAC name is N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide
PubChem CID54858481
Molecular FormulaC26H18Cl2N2O3
Molecular Weight477.35 g/mol
Exact Mass476.07
IUPAC NameN-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc(Cc4nc5cc(Cl)ccc5o4)cc3)o2)cc1Cl
InChIInChI=1S/C26H18Cl2N2O3/c1-15-2-5-17(13-20(15)28)22-10-11-24(32-22)26(31)29-19-7-3-16(4-8-19)12-25-30-21-14-18(27)6-9-23(21)33-25/h2-11,13-14H,12H2,1H3,(H,29,31)
InChIKeyNNZODPLFXLJYAK-UHFFFAOYSA-N
XLogP7.55
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.35
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide with MolForge

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Related Compounds

5-(4-chlorophenyl)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]furan-2-carboxamide
CID 54858044
4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
CID 28914790
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 54858572
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]pyridine-3-carboxamide
CID 54858852
N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 17163223
N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutanamide
CID 54857895
2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858538
5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3124272
3,6-dichloro-N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-1-benzothiophene-2-carboxamide
CID 54858521
N-[[4-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 124542246
5-(3,4-dimethylphenyl)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 4271036

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide (CID 54858481) is N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide is Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cc4nc5cc(Cl)ccc5o4)cc3)o2)cc1Cl.
What is the InChIKey of N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide?
The InChIKey is NNZODPLFXLJYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2N2O3/c1-15-2-5-17(13-20(15)28)22-10-11-24(32-22)26(31)29-19-7-3-16(4-8-19)12-25-30-21-14-18(27)6-9-23(21)33-25/h2-11,13-14H,12H2,1H3,(H,29,31).
What are the key properties of N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide?
N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide has a molecular weight of 477.35 g/mol, XLogP of 7.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 54858481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).