[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium

C18H27N4O2+ — CID 8768311

IUPAC[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium
SMILESCc1cccc(-c2nnc([C@H](C)[NH+](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)/p+1/t13-/m0/s1
InChIKeyNXEDQHVJQKFVPF-ZDUSSCGKSA-O
MW331.44 g/mol
LogP1.54
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium

[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium (PubChem CID 8768311) has the molecular formula C18H27N4O2+ and a molecular weight of 331.44 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium
PubChem CID8768311
Molecular FormulaC18H27N4O2+
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium
SMILESCc1cccc(-c2nnc([C@H](C)[NH+](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)/p+1/t13-/m0/s1
InChIKeyNXEDQHVJQKFVPF-ZDUSSCGKSA-O
XLogP1.54
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium with MolForge

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Related Compounds

N-tert-butyl-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide
CID 8768310
[(1S)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8786329
(4-chlorophenyl)methyl-methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium
CID 8540659
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol
CID 66596920
N-ethyl-2-[ethyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide
CID 8683321
2-[(1S)-1-chloroethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7129414
2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 43913057
methyl-[(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8622135
N-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide
CID 45281562
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-benzamidoacetate
CID 18209821
ethyl 4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-4-ium-1-carboxylate
CID 8544399
4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 25343436

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium (CID 8768311) is [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium is Cc1cccc(-c2nnc([C@H](C)[NH+](C)CC(=O)NC(C)(C)C)o2)c1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium?
The InChIKey is NXEDQHVJQKFVPF-ZDUSSCGKSA-O. 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)/p+1/t13-/m0/s1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium?
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium has a molecular weight of 331.44 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]azanium is sourced from PubChem (CID 8768311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).