3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-propan-2-ylpropanamide

C18H25N3O3 — CID 42241082

IUPAC3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-propan-2-ylpropanamide
SMILESCOc1ccccc1CCc1nnc(CCC(=O)N(C)C(C)C)o1
InChIInChI=1S/C18H25N3O3/c1-13(2)21(3)18(22)12-11-17-20-19-16(24-17)10-9-14-7-5-6-8-15(14)23-4/h5-8,13H,9-12H2,1-4H3
InChIKeyHQKVMTCMVXOPBM-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.66
Rot. Bonds8

About 3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-propan-2-ylpropanamide

3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-propan-2-ylpropanamide (PubChem CID 42241082) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-propan-2-ylpropanamide
PubChem CID42241082
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-propan-2-ylpropanamide
SMILESCOc1ccccc1CCc1nnc(CCC(=O)N(C)C(C)C)o1
InChIInChI=1S/C18H25N3O3/c1-13(2)21(3)18(22)12-11-17-20-19-16(24-17)10-9-14-7-5-6-8-15(14)23-4/h5-8,13H,9-12H2,1-4H3
InChIKeyHQKVMTCMVXOPBM-UHFFFAOYSA-N
XLogP2.66
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylphenyl)methyl]-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
CID 25376239
N-cyclopentyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42217184
N-cycloheptyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25369260
1-(2-methoxyphenyl)-4-methylpentan-3-one
CID 58133956
3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-diethylpropanamide
CID 42513539
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134054629
N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylphenyl)propanamide
CID 110334846
2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole
CID 167743789
2-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid
CID 82302112
N-[2-(2-methoxyphenyl)ethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51231780
N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide
CID 45352017
N-[[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62139060

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-propan-2-ylpropanamide (CID 42241082) is 3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-propan-2-ylpropanamide is COc1ccccc1CCc1nnc(CCC(=O)N(C)C(C)C)o1.
What is the InChIKey of 3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-propan-2-ylpropanamide?
The InChIKey is HQKVMTCMVXOPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13(2)21(3)18(22)12-11-17-20-19-16(24-17)10-9-14-7-5-6-8-15(14)23-4/h5-8,13H,9-12H2,1-4H3.
What are the key properties of 3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-propan-2-ylpropanamide?
3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-propan-2-ylpropanamide has a molecular weight of 331.42 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 42241082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).