N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide

C42H35N5O4 — CID 146330173

IUPACN-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3ccno3)c3cc(-c4cc(C(=O)Nc5cn(Cc6ccc(C)cc6)c6ccccc56)c(C)o4)ccc32)cc1
InChIInChI=1S/C42H35N5O4/c1-26-8-12-29(13-9-26)22-46-24-35(32-6-4-5-7-37(32)46)44-41(48)33-21-40(50-28(33)3)31-16-17-38-34(20-31)36(45-42(49)39-18-19-43-51-39)25-47(38)23-30-14-10-27(2)11-15-30/h4-21,24-25H,22-23H2,1-3H3,(H,44,48)(H,45,49)
InChIKeyAYSPEZLKRLSEEZ-UHFFFAOYSA-N
MW673.77 g/mol
LogP9.37
Rot. Bonds9

About N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide

N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 146330173) has the molecular formula C42H35N5O4 and a molecular weight of 673.77 g/mol. Its IUPAC name is N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID146330173
Molecular FormulaC42H35N5O4
Molecular Weight673.77 g/mol
Exact Mass673.27
IUPAC NameN-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3ccno3)c3cc(-c4cc(C(=O)Nc5cn(Cc6ccc(C)cc6)c6ccccc56)c(C)o4)ccc32)cc1
InChIInChI=1S/C42H35N5O4/c1-26-8-12-29(13-9-26)22-46-24-35(32-6-4-5-7-37(32)46)44-41(48)33-21-40(50-28(33)3)31-16-17-38-34(20-31)36(45-42(49)39-18-19-43-51-39)25-47(38)23-30-14-10-27(2)11-15-30/h4-21,24-25H,22-23H2,1-3H3,(H,44,48)(H,45,49)
InChIKeyAYSPEZLKRLSEEZ-UHFFFAOYSA-N
XLogP9.37
TPSA107.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.77
LogP ≤ 59.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide (CID 146330173) is N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide is Cc1ccc(Cn2cc(NC(=O)c3ccno3)c3cc(-c4cc(C(=O)Nc5cn(Cc6ccc(C)cc6)c6ccccc56)c(C)o4)ccc32)cc1.
What is the InChIKey of N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is AYSPEZLKRLSEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35N5O4/c1-26-8-12-29(13-9-26)22-46-24-35(32-6-4-5-7-37(32)46)44-41(48)33-21-40(50-28(33)3)31-16-17-38-34(20-31)36(45-42(49)39-18-19-43-51-39)25-47(38)23-30-14-10-27(2)11-15-30/h4-21,24-25H,22-23H2,1-3H3,(H,44,48)(H,45,49).
What are the key properties of N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide?
N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 673.77 g/mol, XLogP of 9.37, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 146330173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).