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

C19H21N3O3 — CID 110653012

IUPACN-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-propan-2-yloxyaniline
SMILESCOc1ccc(-c2nnc(CNc3ccccc3OC(C)C)o2)cc1
InChIInChI=1S/C19H21N3O3/c1-13(2)24-17-7-5-4-6-16(17)20-12-18-21-22-19(25-18)14-8-10-15(23-3)11-9-14/h4-11,13,20H,12H2,1-3H3
InChIKeyOZFMNXONOVMYLY-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.14
Rot. Bonds7

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

N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-propan-2-yloxyaniline (PubChem CID 110653012) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-propan-2-yloxyaniline
PubChem CID110653012
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-propan-2-yloxyaniline
SMILESCOc1ccc(-c2nnc(CNc3ccccc3OC(C)C)o2)cc1
InChIInChI=1S/C19H21N3O3/c1-13(2)24-17-7-5-4-6-16(17)20-12-18-21-22-19(25-18)14-8-10-15(23-3)11-9-14/h4-11,13,20H,12H2,1-3H3
InChIKeyOZFMNXONOVMYLY-UHFFFAOYSA-N
XLogP4.14
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylaniline
CID 110652972
2-(difluoromethoxy)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 78795629
2-methoxy-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652841
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenoxyaniline
CID 110653037
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-amine
CID 155812298
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethylaniline
CID 110652977
methyl 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
CID 78822546
N-(4-methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
CID 78793077
2-bromo-N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110653218
2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 110655871
2-methoxy-5-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870594
2-[(2-tert-butylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 110655868

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-propan-2-yloxyaniline?
The IUPAC name of N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-propan-2-yloxyaniline (CID 110653012) is N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-propan-2-yloxyaniline.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-propan-2-yloxyaniline?
The canonical SMILES for N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-propan-2-yloxyaniline is COc1ccc(-c2nnc(CNc3ccccc3OC(C)C)o2)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-propan-2-yloxyaniline?
The InChIKey is OZFMNXONOVMYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13(2)24-17-7-5-4-6-16(17)20-12-18-21-22-19(25-18)14-8-10-15(23-3)11-9-14/h4-11,13,20H,12H2,1-3H3.
What are the key properties of N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-propan-2-yloxyaniline?
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-propan-2-yloxyaniline has a molecular weight of 339.40 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-propan-2-yloxyaniline is sourced from PubChem (CID 110653012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).