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

C20H23N3O2 — CID 110652615

IUPACN-benzyl-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCOc1ccccc1-c1nnc(CN(Cc2ccccc2)C(C)C)o1
InChIInChI=1S/C20H23N3O2/c1-15(2)23(13-16-9-5-4-6-10-16)14-19-21-22-20(25-19)17-11-7-8-12-18(17)24-3/h4-12,15H,13-14H2,1-3H3
InChIKeySLEBFBXIIUJCRZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.16
Rot. Bonds7

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

N-benzyl-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 110652615) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-benzyl-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-benzyl-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID110652615
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-benzyl-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCOc1ccccc1-c1nnc(CN(Cc2ccccc2)C(C)C)o1
InChIInChI=1S/C20H23N3O2/c1-15(2)23(13-16-9-5-4-6-10-16)14-19-21-22-20(25-19)17-11-7-8-12-18(17)24-3/h4-12,15H,13-14H2,1-3H3
InChIKeySLEBFBXIIUJCRZ-UHFFFAOYSA-N
XLogP4.16
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 78822942
N-benzyl-N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334734
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide
CID 110319915
N-benzyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334721
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)methanamine
CID 110652564
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4,6-trimethylaniline
CID 110652646
N-benzyl-N-[(3-bromo-4-methoxyphenyl)methyl]propan-2-amine
CID 60688895
2-methoxy-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylaniline
CID 110652671
3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 82133202
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline
CID 110652632
3,4-dimethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 24555864
2-(1-bromopropyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 62856199

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-benzyl-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 110652615) is N-benzyl-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-benzyl-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-benzyl-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is COc1ccccc1-c1nnc(CN(Cc2ccccc2)C(C)C)o1.
What is the InChIKey of N-benzyl-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is SLEBFBXIIUJCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15(2)23(13-16-9-5-4-6-10-16)14-19-21-22-20(25-19)17-11-7-8-12-18(17)24-3/h4-12,15H,13-14H2,1-3H3.
What are the key properties of N-benzyl-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
N-benzyl-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 337.42 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 110652615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).