N-tert-butyl-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide

C18H26N4O2 — CID 8768310

IUPACN-tert-butyl-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide
SMILESCc1cccc(-c2nnc([C@@H](C)N(C)CC(=O)NC(C)(C)C)o2)c1
InChIInChI=1S/C18H26N4O2/c1-12-8-7-9-14(10-12)17-21-20-16(24-17)13(2)22(6)11-15(23)19-18(3,4)5/h7-10,13H,11H2,1-6H3,(H,19,23)/t13-/m1/s1
InChIKeyNXEDQHVJQKFVPF-CYBMUJFWSA-N
MW330.43 g/mol
LogP2.95
Rot. Bonds5

About N-tert-butyl-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide

N-tert-butyl-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide (PubChem CID 8768310) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide
PubChem CID8768310
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-tert-butyl-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide
SMILESCc1cccc(-c2nnc([C@@H](C)N(C)CC(=O)NC(C)(C)C)o2)c1
InChIInChI=1S/C18H26N4O2/c1-12-8-7-9-14(10-12)17-21-20-16(24-17)13(2)22(6)11-15(23)19-18(3,4)5/h7-10,13H,11H2,1-6H3,(H,19,23)/t13-/m1/s1
InChIKeyNXEDQHVJQKFVPF-CYBMUJFWSA-N
XLogP2.95
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide
CID 8556130
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium
CID 8768311
2-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 55410520
N-ethyl-2-[ethyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide
CID 8683321
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol
CID 66596920
N-(4-bromo-2-methylphenyl)-2-[methyl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]acetamide
CID 55387396
2-[methyl-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 40880670
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 138997237
2-[(1S)-1-chloroethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7129414
2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 43913057
ethyl 2-[[(1S)-1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetate
CID 96541250
N-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide
CID 45281562

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide (CID 8768310) is N-tert-butyl-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide is Cc1cccc(-c2nnc([C@@H](C)N(C)CC(=O)NC(C)(C)C)o2)c1.
What is the InChIKey of N-tert-butyl-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide?
The InChIKey is NXEDQHVJQKFVPF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12-8-7-9-14(10-12)17-21-20-16(24-17)13(2)22(6)11-15(23)19-18(3,4)5/h7-10,13H,11H2,1-6H3,(H,19,23)/t13-/m1/s1.
What are the key properties of N-tert-butyl-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide?
N-tert-butyl-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide has a molecular weight of 330.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide is sourced from PubChem (CID 8768310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).