N-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]-1-benzofuran-2-carboxamide

C29H19N3O4 — CID 1369939

IUPACN-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C29H19N3O4/c33-27(30-21-15-11-19(12-16-21)29-32-23-6-2-4-8-25(23)36-29)18-9-13-22(14-10-18)31-28(34)26-17-20-5-1-3-7-24(20)35-26/h1-17H,(H,30,33)(H,31,34)
InChIKeyALQIZRCPSILFNQ-UHFFFAOYSA-N
MW473.49 g/mol
LogP6.75
Rot. Bonds5

About N-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]-1-benzofuran-2-carboxamide

N-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 1369939) has the molecular formula C29H19N3O4 and a molecular weight of 473.49 g/mol. Its IUPAC name is N-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]-1-benzofuran-2-carboxamide
PubChem CID1369939
Molecular FormulaC29H19N3O4
Molecular Weight473.49 g/mol
Exact Mass473.14
IUPAC NameN-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C29H19N3O4/c33-27(30-21-15-11-19(12-16-21)29-32-23-6-2-4-8-25(23)36-29)18-9-13-22(14-10-18)31-28(34)26-17-20-5-1-3-7-24(20)35-26/h1-17H,(H,30,33)(H,31,34)
InChIKeyALQIZRCPSILFNQ-UHFFFAOYSA-N
XLogP6.75
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.49
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
4,4'-Bis(2-benzoxazolyl)stilbene
CID 73744
BI 99179
CID 51346964
4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 350189
N-{3-[2-(4-Phenyl-butyl)-benzooxazol-7-yl]-propyl}-propionamide
CID 10361427
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-(2-phenyl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 713013
4-(5-Ethyl-benzooxazol-2-yl)-phenylamine
CID 735943
4-(5-Isopropylbenzo[d]oxazol-2-yl)aniline
CID 772857
N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 1340554
N-(p-(2-Benzoxazolyl)phenyl)maleimide
CID 85555
Benzoxazole, 2-(4-(2-(4-(2-benzoxazolyl)phenyl)ethenyl)phenyl)-5-methyl-
CID 5761588

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]-1-benzofuran-2-carboxamide (CID 1369939) is N-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is ALQIZRCPSILFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3O4/c33-27(30-21-15-11-19(12-16-21)29-32-23-6-2-4-8-25(23)36-29)18-9-13-22(14-10-18)31-28(34)26-17-20-5-1-3-7-24(20)35-26/h1-17H,(H,30,33)(H,31,34).
What are the key properties of N-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]-1-benzofuran-2-carboxamide?
N-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 473.49 g/mol, XLogP of 6.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1369939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).