2-[[5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N,N-dimethylacetamide

C18H26N4O3 — CID 87013565

IUPAC2-[[5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N,N-dimethylacetamide
SMILESCCCCOc1ccc(-c2nnc(CN(C)CC(=O)N(C)C)o2)cc1
InChIInChI=1S/C18H26N4O3/c1-5-6-11-24-15-9-7-14(8-10-15)18-20-19-16(25-18)12-22(4)13-17(23)21(2)3/h7-10H,5-6,11-13H2,1-4H3
InChIKeyKIOOWIYKFBCXHW-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.44
Rot. Bonds9

About 2-[[5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N,N-dimethylacetamide

2-[[5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N,N-dimethylacetamide (PubChem CID 87013565) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[[5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N,N-dimethylacetamide
PubChem CID87013565
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-[[5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N,N-dimethylacetamide
SMILESCCCCOc1ccc(-c2nnc(CN(C)CC(=O)N(C)C)o2)cc1
InChIInChI=1S/C18H26N4O3/c1-5-6-11-24-15-9-7-14(8-10-15)18-20-19-16(25-18)12-22(4)13-17(23)21(2)3/h7-10H,5-6,11-13H2,1-4H3
InChIKeyKIOOWIYKFBCXHW-UHFFFAOYSA-N
XLogP2.44
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 34161725
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-(4-methylphenoxy)ethanamine
CID 34722034
1-(4-ethoxyphenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine
CID 34689783
2-(4-hexadecoxyphenyl)-5-[4-[5-(4-hexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 102166684
2-(4-decoxyphenyl)-5-[4-[5-(4-decoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 3725956
2,5-bis(4-octoxyphenyl)-1,3,4-oxadiazole
CID 102447909
[4-[5-[4-(4-octoxybenzoyl)oxyphenyl]-1,3,4-oxadiazol-2-yl]phenyl] 4-octoxybenzoate
CID 102447911
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-propoxyphenoxy)acetamide
CID 55332851
N-methyl-2-(4-methylphenoxy)-N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 34721938
2-bromo-5-(4-butoxyphenyl)-1,3,4-oxadiazole
CID 114771327
(E)-3-[5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81251984
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 51261076

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N,N-dimethylacetamide (CID 87013565) is 2-[[5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N,N-dimethylacetamide is CCCCOc1ccc(-c2nnc(CN(C)CC(=O)N(C)C)o2)cc1.
What is the InChIKey of 2-[[5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is KIOOWIYKFBCXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-5-6-11-24-15-9-7-14(8-10-15)18-20-19-16(25-18)12-22(4)13-17(23)21(2)3/h7-10H,5-6,11-13H2,1-4H3.
What are the key properties of 2-[[5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N,N-dimethylacetamide?
2-[[5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 346.43 g/mol, XLogP of 2.44, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 87013565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).