N-[1-[5-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

C16H23N3O — CID 62504986

IUPACN-[1-[5-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(CCc2ccc(C)cc2)o1
InChIInChI=1S/C16H23N3O/c1-4-11-17-13(3)16-19-18-15(20-16)10-9-14-7-5-12(2)6-8-14/h5-8,13,17H,4,9-11H2,1-3H3
InChIKeyRLWXKRSFSMHYOX-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.22
Rot. Bonds7

About N-[1-[5-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

N-[1-[5-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 62504986) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-[5-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
PubChem CID62504986
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[1-[5-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(CCc2ccc(C)cc2)o1
InChIInChI=1S/C16H23N3O/c1-4-11-17-13(3)16-19-18-15(20-16)10-9-14-7-5-12(2)6-8-14/h5-8,13,17H,4,9-11H2,1-3H3
InChIKeyRLWXKRSFSMHYOX-UHFFFAOYSA-N
XLogP3.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-heptyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 62162889
N-[1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62163061
N-[1-[5-(3-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62164794
N-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62163596
N-[(4-ethylphenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967432
N-ethyl-1-(5-octyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 65428734
N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961805
N-[1-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 103166387
2-(3-chloropropyl)-5-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole
CID 62505329
N-(2-bromo-5-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106963884
2-methyl-3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]phenol
CID 82830527
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (CID 62504986) is N-[1-[5-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1nnc(CCc2ccc(C)cc2)o1.
What is the InChIKey of N-[1-[5-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is RLWXKRSFSMHYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-11-17-13(3)16-19-18-15(20-16)10-9-14-7-5-12(2)6-8-14/h5-8,13,17H,4,9-11H2,1-3H3.
What are the key properties of N-[1-[5-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62504986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).