N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine

C15H20N2OS — CID 103913333

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
SMILESCCc1cnc(CNC(C)c2ccc(SC)cc2)o1
InChIInChI=1S/C15H20N2OS/c1-4-13-9-17-15(18-13)10-16-11(2)12-5-7-14(19-3)8-6-12/h5-9,11,16H,4,10H2,1-3H3
InChIKeySAGHJQHXIDYHGJ-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.81
Rot. Bonds6

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine (PubChem CID 103913333) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
PubChem CID103913333
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
SMILESCCc1cnc(CNC(C)c2ccc(SC)cc2)o1
InChIInChI=1S/C15H20N2OS/c1-4-13-9-17-15(18-13)10-16-11(2)12-5-7-14(19-3)8-6-12/h5-9,11,16H,4,10H2,1-3H3
InChIKeySAGHJQHXIDYHGJ-UHFFFAOYSA-N
XLogP3.81
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylaniline
CID 72107248
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-phenylcyclopropan-1-amine
CID 53588214
3-(benzenesulfonylmethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
CID 75427324
(1S)-1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 97334742
(1S)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine
CID 97610056
N-(2,6-dimethylphenyl)-4-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]butanamide
CID 71858183
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-(4-fluorophenyl)propan-2-amine
CID 53594845
5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 75427325
1-(3-fluoro-4-methylphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 75443607
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide
CID 75449230
1-(5-methyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 75451796
1-(2,3-difluorophenyl)-2,2,2-trifluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 75503346

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine (CID 103913333) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine is CCc1cnc(CNC(C)c2ccc(SC)cc2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is SAGHJQHXIDYHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-13-9-17-15(18-13)10-16-11(2)12-5-7-14(19-3)8-6-12/h5-9,11,16H,4,10H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 103913333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).