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N-tert-butyl-3-chloro-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

C16H20ClN3O2 — CID 100692604

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-tert-butyl-3-chloro-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCc1nnc(CN(C(=O)c2cccc(Cl)c2C)C(C)(C)C)o1
InChIInChI=1S/C16H20ClN3O2/c1-10-12(7-6-8-13(10)17)15(21)20(16(3,4)5)9-14-19-18-11(2)22-14/h6-8H,9H2,1-5H3
InChIKeyFJDYCJZTAGJTPI-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.78
Rot. Bonds3

About N-tert-butyl-3-chloro-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

N-tert-butyl-3-chloro-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 100692604) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-tert-butyl-3-chloro-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-chloro-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID100692604
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-tert-butyl-3-chloro-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCc1nnc(CN(C(=O)c2cccc(Cl)c2C)C(C)(C)C)o1
InChIInChI=1S/C16H20ClN3O2/c1-10-12(7-6-8-13(10)17)15(21)20(16(3,4)5)9-14-19-18-11(2)22-14/h6-8H,9H2,1-5H3
InChIKeyFJDYCJZTAGJTPI-UHFFFAOYSA-N
XLogP3.78
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-chloro-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of N-tert-butyl-3-chloro-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 100692604) is N-tert-butyl-3-chloro-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-tert-butyl-3-chloro-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for N-tert-butyl-3-chloro-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is Cc1nnc(CN(C(=O)c2cccc(Cl)c2C)C(C)(C)C)o1.
What is the InChIKey of N-tert-butyl-3-chloro-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is FJDYCJZTAGJTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-10-12(7-6-8-13(10)17)15(21)20(16(3,4)5)9-14-19-18-11(2)22-14/h6-8H,9H2,1-5H3.
What are the key properties of N-tert-butyl-3-chloro-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
N-tert-butyl-3-chloro-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 321.81 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-chloro-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 100692604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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