1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine

C15H20N2OS — CID 106923251

IUPAC1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1Sc1nc(C)c(C)o1
InChIInChI=1S/C15H20N2OS/c1-5-16-11(3)13-8-6-7-9-14(13)19-15-17-10(2)12(4)18-15/h6-9,11,16H,5H2,1-4H3
InChIKeyNFBGDNPEDOOJIX-UHFFFAOYSA-N
MW276.41 g/mol
LogP4.11
Rot. Bonds5

About 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine

1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine (PubChem CID 106923251) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine
PubChem CID106923251
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1Sc1nc(C)c(C)o1
InChIInChI=1S/C15H20N2OS/c1-5-16-11(3)13-8-6-7-9-14(13)19-15-17-10(2)12(4)18-15/h6-9,11,16H,5H2,1-4H3
InChIKeyNFBGDNPEDOOJIX-UHFFFAOYSA-N
XLogP4.11
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-ethylethanamine
CID 106923307
N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine
CID 106926798
N-ethyl-1-(2-propan-2-ylsulfanylphenyl)ethanamine
CID 60885151
1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine
CID 43286383
5-[2-[1-(ethylamino)ethyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736606
N-ethyl-1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine
CID 43286196
N-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 63531998
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline
CID 106921700
N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105082350
1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine
CID 82969471
N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine
CID 43286135
1-(2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 54964828

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine (CID 106923251) is 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine is CCNC(C)c1ccccc1Sc1nc(C)c(C)o1.
What is the InChIKey of 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine?
The InChIKey is NFBGDNPEDOOJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-5-16-11(3)13-8-6-7-9-14(13)19-15-17-10(2)12(4)18-15/h6-9,11,16H,5H2,1-4H3.
What are the key properties of 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine?
1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine has a molecular weight of 276.41 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine is sourced from PubChem (CID 106923251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).