5-(2-methoxyphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide

C21H17N3O5 — CID 37338452

IUPAC5-(2-methoxyphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide
SMILESCOc1ccccc1-c1cc(C(=O)NNC(=O)c2oc3ccccc3c2C)no1
InChIInChI=1S/C21H17N3O5/c1-12-13-7-3-6-10-17(13)28-19(12)21(26)23-22-20(25)15-11-18(29-24-15)14-8-4-5-9-16(14)27-2/h3-11H,1-2H3,(H,22,25)(H,23,26)
InChIKeyLDZIGCZDHHDUMK-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.48
Rot. Bonds4

About 5-(2-methoxyphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide

5-(2-methoxyphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide (PubChem CID 37338452) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide
PubChem CID37338452
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC Name5-(2-methoxyphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide
SMILESCOc1ccccc1-c1cc(C(=O)NNC(=O)c2oc3ccccc3c2C)no1
InChIInChI=1S/C21H17N3O5/c1-12-13-7-3-6-10-17(13)28-19(12)21(26)23-22-20(25)15-11-18(29-24-15)14-8-4-5-9-16(14)27-2/h3-11H,1-2H3,(H,22,25)(H,23,26)
InChIKeyLDZIGCZDHHDUMK-UHFFFAOYSA-N
XLogP3.48
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide
CID 24665378
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685449
5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46417466
1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide
CID 51166600
5-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 41098465
N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464723
N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 9297287
(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226711
6-methoxy-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide
CID 27685748
(2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880611
5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
CID 46417646
N'-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide
CID 39826924

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-(2-methoxyphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide (CID 37338452) is 5-(2-methoxyphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-(2-methoxyphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-(2-methoxyphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide is COc1ccccc1-c1cc(C(=O)NNC(=O)c2oc3ccccc3c2C)no1.
What is the InChIKey of 5-(2-methoxyphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide?
The InChIKey is LDZIGCZDHHDUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5/c1-12-13-7-3-6-10-17(13)28-19(12)21(26)23-22-20(25)15-11-18(29-24-15)14-8-4-5-9-16(14)27-2/h3-11H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 5-(2-methoxyphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide?
5-(2-methoxyphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide has a molecular weight of 391.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 37338452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).