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

C18H25N3O3 — CID 1258023

IUPACN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethyl-N-propan-2-ylpropanamide
SMILESCOc1ccc(-c2noc(CN(C(=O)C(C)(C)C)C(C)C)n2)cc1
InChIInChI=1S/C18H25N3O3/c1-12(2)21(17(22)18(3,4)5)11-15-19-16(20-24-15)13-7-9-14(23-6)10-8-13/h7-10,12H,11H2,1-6H3
InChIKeyAHRIGIJMRXJQEF-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.53
Rot. Bonds5

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

N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethyl-N-propan-2-ylpropanamide (PubChem CID 1258023) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethyl-N-propan-2-ylpropanamide
PubChem CID1258023
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethyl-N-propan-2-ylpropanamide
SMILESCOc1ccc(-c2noc(CN(C(=O)C(C)(C)C)C(C)C)n2)cc1
InChIInChI=1S/C18H25N3O3/c1-12(2)21(17(22)18(3,4)5)11-15-19-16(20-24-15)13-7-9-14(23-6)10-8-13/h7-10,12H,11H2,1-6H3
InChIKeyAHRIGIJMRXJQEF-UHFFFAOYSA-N
XLogP3.53
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethyl-N-propan-2-ylpropanamide?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethyl-N-propan-2-ylpropanamide (CID 1258023) is N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethyl-N-propan-2-ylpropanamide is COc1ccc(-c2noc(CN(C(=O)C(C)(C)C)C(C)C)n2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethyl-N-propan-2-ylpropanamide?
The InChIKey is AHRIGIJMRXJQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12(2)21(17(22)18(3,4)5)11-15-19-16(20-24-15)13-7-9-14(23-6)10-8-13/h7-10,12H,11H2,1-6H3.
What are the key properties of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethyl-N-propan-2-ylpropanamide?
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethyl-N-propan-2-ylpropanamide has a molecular weight of 331.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 1258023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).