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

C16H23N3O — CID 62819040

IUPACN-ethyl-2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCNC(C)(C)c1nc(-c2ccc(C(C)C)cc2)no1
InChIInChI=1S/C16H23N3O/c1-6-17-16(4,5)15-18-14(19-20-15)13-9-7-12(8-10-13)11(2)3/h7-11,17H,6H2,1-5H3
InChIKeyFBHSRXAHJIDMRS-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.70
Rot. Bonds5

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

N-ethyl-2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 62819040) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID62819040
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-ethyl-2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCNC(C)(C)c1nc(-c2ccc(C(C)C)cc2)no1
InChIInChI=1S/C16H23N3O/c1-6-17-16(4,5)15-18-14(19-20-15)13-9-7-12(8-10-13)11(2)3/h7-11,17H,6H2,1-5H3
InChIKeyFBHSRXAHJIDMRS-UHFFFAOYSA-N
XLogP3.70
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62817614
N-ethyl-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 62818521
N-ethyl-2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 55123829
N-ethyl-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62818520
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 103442627
2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 62818337
N-ethyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63841516
2-methyl-1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 43625121
N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 62819214
2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 63089538
N-ethyl-2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 116743752
2-methyl-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 60672964

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of N-ethyl-2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 62819040) is N-ethyl-2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-ethyl-2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for N-ethyl-2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CCNC(C)(C)c1nc(-c2ccc(C(C)C)cc2)no1.
What is the InChIKey of N-ethyl-2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is FBHSRXAHJIDMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-6-17-16(4,5)15-18-14(19-20-15)13-9-7-12(8-10-13)11(2)3/h7-11,17H,6H2,1-5H3.
What are the key properties of N-ethyl-2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
N-ethyl-2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 62819040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).