3-benzamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propan-2-ylbenzamide

C27H25ClN4O3 — CID 55630767

IUPAC3-benzamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1NC(=O)c1ccccc1
InChIInChI=1S/C27H25ClN4O3/c1-17(2)32(16-24-30-31-26(35-24)21-11-7-8-12-22(21)28)27(34)20-14-13-18(3)23(15-20)29-25(33)19-9-5-4-6-10-19/h4-15,17H,16H2,1-3H3,(H,29,33)
InChIKeyJYOAQMXLGPLCQP-UHFFFAOYSA-N
MW488.98 g/mol
LogP6.00
Rot. Bonds7

About 3-benzamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propan-2-ylbenzamide

3-benzamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propan-2-ylbenzamide (PubChem CID 55630767) has the molecular formula C27H25ClN4O3 and a molecular weight of 488.98 g/mol. Its IUPAC name is 3-benzamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-benzamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propan-2-ylbenzamide
PubChem CID55630767
Molecular FormulaC27H25ClN4O3
Molecular Weight488.98 g/mol
Exact Mass488.16
IUPAC Name3-benzamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1NC(=O)c1ccccc1
InChIInChI=1S/C27H25ClN4O3/c1-17(2)32(16-24-30-31-26(35-24)21-11-7-8-12-22(21)28)27(34)20-14-13-18(3)23(15-20)29-25(33)19-9-5-4-6-10-19/h4-15,17H,16H2,1-3H3,(H,29,33)
InChIKeyJYOAQMXLGPLCQP-UHFFFAOYSA-N
XLogP6.00
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.98
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 3-benzamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propan-2-ylbenzamide (CID 55630767) is 3-benzamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-benzamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 3-benzamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propan-2-ylbenzamide is Cc1ccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propan-2-ylbenzamide?
The InChIKey is JYOAQMXLGPLCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O3/c1-17(2)32(16-24-30-31-26(35-24)21-11-7-8-12-22(21)28)27(34)20-14-13-18(3)23(15-20)29-25(33)19-9-5-4-6-10-19/h4-15,17H,16H2,1-3H3,(H,29,33).
What are the key properties of 3-benzamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propan-2-ylbenzamide?
3-benzamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propan-2-ylbenzamide has a molecular weight of 488.98 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 55630767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).