4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(oxan-4-yl)benzamide

C24H22N4O4 — CID 16723002

IUPAC4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(oxan-4-yl)benzamide
SMILESCc1onc(-c2ccccc2)c1-c1nnc(-c2ccc(C(=O)NC3CCOCC3)cc2)o1
InChIInChI=1S/C24H22N4O4/c1-15-20(21(28-32-15)16-5-3-2-4-6-16)24-27-26-23(31-24)18-9-7-17(8-10-18)22(29)25-19-11-13-30-14-12-19/h2-10,19H,11-14H2,1H3,(H,25,29)
InChIKeyGCCFYDHQNNCLLQ-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.28
Rot. Bonds5

About 4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(oxan-4-yl)benzamide

4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(oxan-4-yl)benzamide (PubChem CID 16723002) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(oxan-4-yl)benzamide
PubChem CID16723002
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(oxan-4-yl)benzamide
SMILESCc1onc(-c2ccccc2)c1-c1nnc(-c2ccc(C(=O)NC3CCOCC3)cc2)o1
InChIInChI=1S/C24H22N4O4/c1-15-20(21(28-32-15)16-5-3-2-4-6-16)24-27-26-23(31-24)18-9-7-17(8-10-18)22(29)25-19-11-13-30-14-12-19/h2-10,19H,11-14H2,1H3,(H,25,29)
InChIKeyGCCFYDHQNNCLLQ-UHFFFAOYSA-N
XLogP4.28
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693154
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole
CID 16722696
N-cycloheptyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26002230
cis-(1S,3R)-3-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120675801
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide
CID 112822743
N-cyclobutyl-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 24739145
5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 4799748
[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl acetate
CID 29170255
N-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55820403
N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431746
4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid
CID 58833412
4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
CID 17449742

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(oxan-4-yl)benzamide?
The IUPAC name of 4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(oxan-4-yl)benzamide (CID 16723002) is 4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(oxan-4-yl)benzamide?
The canonical SMILES for 4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(oxan-4-yl)benzamide is Cc1onc(-c2ccccc2)c1-c1nnc(-c2ccc(C(=O)NC3CCOCC3)cc2)o1.
What is the InChIKey of 4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(oxan-4-yl)benzamide?
The InChIKey is GCCFYDHQNNCLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-15-20(21(28-32-15)16-5-3-2-4-6-16)24-27-26-23(31-24)18-9-7-17(8-10-18)22(29)25-19-11-13-30-14-12-19/h2-10,19H,11-14H2,1H3,(H,25,29).
What are the key properties of 4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(oxan-4-yl)benzamide?
4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(oxan-4-yl)benzamide has a molecular weight of 430.46 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 16723002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).