5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide

C27H21N3O5 — CID 17010949

IUPAC5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3c(C(=O)Nc4cccc(C)c4)oc4ccccc34)no2)cc1
InChIInChI=1S/C27H21N3O5/c1-16-6-5-7-18(14-16)28-27(32)25-24(20-8-3-4-9-22(20)34-25)29-26(31)21-15-23(35-30-21)17-10-12-19(33-2)13-11-17/h3-15H,1-2H3,(H,28,32)(H,29,31)
InChIKeyDSOITUIDUFJKLY-UHFFFAOYSA-N
MW467.48 g/mol
LogP5.91
Rot. Bonds6

About 5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide

5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 17010949) has the molecular formula C27H21N3O5 and a molecular weight of 467.48 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID17010949
Molecular FormulaC27H21N3O5
Molecular Weight467.48 g/mol
Exact Mass467.15
IUPAC Name5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3c(C(=O)Nc4cccc(C)c4)oc4ccccc34)no2)cc1
InChIInChI=1S/C27H21N3O5/c1-16-6-5-7-18(14-16)28-27(32)25-24(20-8-3-4-9-22(20)34-25)29-26(31)21-15-23(35-30-21)17-10-12-19(33-2)13-11-17/h3-15H,1-2H3,(H,28,32)(H,29,31)
InChIKeyDSOITUIDUFJKLY-UHFFFAOYSA-N
XLogP5.91
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.48
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011506
5-(4-methoxyphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide
CID 46271206
3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163
N-(3-methylphenyl)-3-(propan-2-ylamino)-1-benzofuran-2-carboxamide
CID 110827101
N-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252843
5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46417466
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 35339570
N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814466
N-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875169
3-[(4-bromobenzoyl)amino]-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 16814422
N-(3,5-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285765
N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7116970

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide (CID 17010949) is 5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3c(C(=O)Nc4cccc(C)c4)oc4ccccc34)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is DSOITUIDUFJKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O5/c1-16-6-5-7-18(14-16)28-27(32)25-24(20-8-3-4-9-22(20)34-25)29-26(31)21-15-23(35-30-21)17-10-12-19(33-2)13-11-17/h3-15H,1-2H3,(H,28,32)(H,29,31).
What are the key properties of 5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide?
5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 467.48 g/mol, XLogP of 5.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17010949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).