1-[4-ethoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine

C15H20N2O2S — CID 106927422

IUPAC1-[4-ethoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine
SMILESCCOc1ccc(C(C)NC)cc1CSc1ncco1
InChIInChI=1S/C15H20N2O2S/c1-4-18-14-6-5-12(11(2)16-3)9-13(14)10-20-15-17-7-8-19-15/h5-9,11,16H,4,10H2,1-3H3
InChIKeyKBIBVLGGKUEJTI-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.65
Rot. Bonds7

About 1-[4-ethoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine

1-[4-ethoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine (PubChem CID 106927422) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[4-ethoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-ethoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine
PubChem CID106927422
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-[4-ethoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine
SMILESCCOc1ccc(C(C)NC)cc1CSc1ncco1
InChIInChI=1S/C15H20N2O2S/c1-4-18-14-6-5-12(11(2)16-3)9-13(14)10-20-15-17-7-8-19-15/h5-9,11,16H,4,10H2,1-3H3
InChIKeyKBIBVLGGKUEJTI-UHFFFAOYSA-N
XLogP3.65
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine
CID 106927297
1-[4-ethoxy-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-N-methylethanamine
CID 64650704
3-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methylsulfanyl]propan-1-ol
CID 66126439
1-(4-ethoxy-3-methylphenyl)-N-methylethanamine
CID 82491203
2-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methyl]pyridazin-3-one
CID 62849248
1-[3-(butan-2-ylsulfanylmethyl)-4-ethoxyphenyl]-N-ethylethanamine
CID 64612587
1-[3-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-methoxyphenyl]-N-methylethanamine
CID 64631451
1-[4-ethoxy-3-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]ethanamine
CID 64626305
1-[3-chloro-4-(4-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 62912758
1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927417
1-(4-ethylphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
CID 106927220
1-[3-[(4-bromophenyl)sulfanylmethyl]-4-ethoxyphenyl]ethanamine
CID 64613281

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-ethoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine (CID 106927422) is 1-[4-ethoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-ethoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-ethoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine is CCOc1ccc(C(C)NC)cc1CSc1ncco1.
What is the InChIKey of 1-[4-ethoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine?
The InChIKey is KBIBVLGGKUEJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-4-18-14-6-5-12(11(2)16-3)9-13(14)10-20-15-17-7-8-19-15/h5-9,11,16H,4,10H2,1-3H3.
What are the key properties of 1-[4-ethoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine?
1-[4-ethoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine has a molecular weight of 292.40 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 106927422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).