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

C15H21N3OS — CID 64633884

IUPACN-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-amine
SMILESCCNC(c1ccc(C)cc1)C(C)Sc1nnc(C)o1
InChIInChI=1S/C15H21N3OS/c1-5-16-14(13-8-6-10(2)7-9-13)11(3)20-15-18-17-12(4)19-15/h6-9,11,14,16H,5H2,1-4H3
InChIKeyHPAXBXKRSPLXPZ-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.52
Rot. Bonds6

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

N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-amine (PubChem CID 64633884) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-amine
PubChem CID64633884
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-amine
SMILESCCNC(c1ccc(C)cc1)C(C)Sc1nnc(C)o1
InChIInChI=1S/C15H21N3OS/c1-5-16-14(13-8-6-10(2)7-9-13)11(3)20-15-18-17-12(4)19-15/h6-9,11,14,16H,5H2,1-4H3
InChIKeyHPAXBXKRSPLXPZ-UHFFFAOYSA-N
XLogP3.52
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 64614946
N-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine
CID 64612135
N-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine
CID 79333225
N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine
CID 43489330
N-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 107762569
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 106927981
N-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine
CID 64633889
N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine
CID 64611477
2-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 2937782
N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-amine
CID 64649007
2-cyclopropyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 83154579
N-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine
CID 64648445

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-amine (CID 64633884) is N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-amine is CCNC(c1ccc(C)cc1)C(C)Sc1nnc(C)o1.
What is the InChIKey of N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-amine?
The InChIKey is HPAXBXKRSPLXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-5-16-14(13-8-6-10(2)7-9-13)11(3)20-15-18-17-12(4)19-15/h6-9,11,14,16H,5H2,1-4H3.
What are the key properties of N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-amine?
N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-amine has a molecular weight of 291.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 64633884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).