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

C16H23N3OS — CID 64634278

IUPACN-[1-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
SMILESCCCNC(CSc1nnc(C)o1)c1cc(C)ccc1C
InChIInChI=1S/C16H23N3OS/c1-5-8-17-15(10-21-16-19-18-13(4)20-16)14-9-11(2)6-7-12(14)3/h6-7,9,15,17H,5,8,10H2,1-4H3
InChIKeyOJYUGKXZHPEXRQ-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.83
Rot. Bonds7

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

N-[1-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]propan-1-amine (PubChem CID 64634278) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
PubChem CID64634278
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-[1-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
SMILESCCCNC(CSc1nnc(C)o1)c1cc(C)ccc1C
InChIInChI=1S/C16H23N3OS/c1-5-8-17-15(10-21-16-19-18-13(4)20-16)14-9-11(2)6-7-12(14)3/h6-7,9,15,17H,5,8,10H2,1-4H3
InChIKeyOJYUGKXZHPEXRQ-UHFFFAOYSA-N
XLogP3.83
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
CID 64621766
1-(2,5-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64614076
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627095
N-[1-(2,4-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
CID 64621771
1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 64620085
N-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylethyl]propan-1-amine
CID 64647741
N-[1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethyl]propan-1-amine
CID 64649429
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 64629634
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylbutan-2-ylsulfanyl)ethanamine
CID 107763423
N-[1-(2,4-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]propan-1-amine
CID 64621994
N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63416075

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]propan-1-amine (CID 64634278) is N-[1-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]propan-1-amine is CCCNC(CSc1nnc(C)o1)c1cc(C)ccc1C.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]propan-1-amine?
The InChIKey is OJYUGKXZHPEXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-5-8-17-15(10-21-16-19-18-13(4)20-16)14-9-11(2)6-7-12(14)3/h6-7,9,15,17H,5,8,10H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]propan-1-amine?
N-[1-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]propan-1-amine has a molecular weight of 305.45 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]propan-1-amine is sourced from PubChem (CID 64634278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).