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

C15H21N3O — CID 62827855

IUPACN-ethyl-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCNC(C)Cc1nc(Cc2ccc(C)cc2)no1
InChIInChI=1S/C15H21N3O/c1-4-16-12(3)9-15-17-14(18-19-15)10-13-7-5-11(2)6-8-13/h5-8,12,16H,4,9-10H2,1-3H3
InChIKeyYJDLJBXQCMKURR-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.51
Rot. Bonds6

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

N-ethyl-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 62827855) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-ethyl-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID62827855
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-ethyl-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCNC(C)Cc1nc(Cc2ccc(C)cc2)no1
InChIInChI=1S/C15H21N3O/c1-4-16-12(3)9-15-17-14(18-19-15)10-13-7-5-11(2)6-8-13/h5-8,12,16H,4,9-10H2,1-3H3
InChIKeyYJDLJBXQCMKURR-UHFFFAOYSA-N
XLogP2.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 66066337
N-ethyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63347693
N-methyl-2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 55061768
3-[(4-bromophenyl)methyl]-5-[(4-methylphenyl)methyl]-1,2,4-oxadiazole
CID 56648292
2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 62330251
N-ethyl-3,3-dimethyl-1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352564
2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 62330601
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3-methoxypropan-2-amine
CID 63347485
N-methyl-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352252
1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 62826780
1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62901112
N-ethyl-1-methoxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63351993

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of N-ethyl-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 62827855) is N-ethyl-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for N-ethyl-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine is CCNC(C)Cc1nc(Cc2ccc(C)cc2)no1.
What is the InChIKey of N-ethyl-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is YJDLJBXQCMKURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-16-12(3)9-15-17-14(18-19-15)10-13-7-5-11(2)6-8-13/h5-8,12,16H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine?
N-ethyl-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 62827855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).