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

C16H20ClN3O2 — CID 100692604

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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Related Compounds

N-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopent-3-ene-1-carboxamide
CID 75436528
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CID 107097824
N-(1-bromo-2-methylpropan-2-yl)-3-chloro-N,2-dimethylbenzamide
CID 107100236
2-chloro-6-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318346
N-(2,6-dichlorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide
CID 110333728
2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfonyl]benzoic acid
CID 81444629
N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492398
3-(2,3-dimethylphenyl)-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 72863703
N-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 100642221
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-2-methylbenzamide
CID 107100035
N-[2-(aminomethyl)cyclopentyl]-3-chloro-N-ethyl-2-methylbenzamide
CID 107098226
3-chloro-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
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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).