[2-methoxy-4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine

C12H14N2O2S — CID 106923784

IUPAC[2-methoxy-4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine
SMILESCOc1cc(CSc2ncco2)ccc1CN
InChIInChI=1S/C12H14N2O2S/c1-15-11-6-9(2-3-10(11)7-13)8-17-12-14-4-5-16-12/h2-6H,7-8,13H2,1H3
InChIKeyVJPCAYKGKKEEHF-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.43
Rot. Bonds5

About [2-methoxy-4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine

[2-methoxy-4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine (PubChem CID 106923784) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is [2-methoxy-4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine
PubChem CID106923784
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name[2-methoxy-4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine
SMILESCOc1cc(CSc2ncco2)ccc1CN
InChIInChI=1S/C12H14N2O2S/c1-15-11-6-9(2-3-10(11)7-13)8-17-12-14-4-5-16-12/h2-6H,7-8,13H2,1H3
InChIKeyVJPCAYKGKKEEHF-UHFFFAOYSA-N
XLogP2.43
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.43
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
[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine
CID 106927256
4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile
CID 106922512
[2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine
CID 106786322
1-(3-fluoro-4-methoxyphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923949
[2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine
CID 106794463
2-[(5-bromofuran-3-yl)methylsulfanyl]-1,3-oxazole
CID 130685156
3-fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921777
[6-methyl-2-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methanamine
CID 106923649
[2-methoxy-4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 106785903
[2-methoxy-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
CID 65340371
[2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine
CID 106786332

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine?
The IUPAC name of [2-methoxy-4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine (CID 106923784) is [2-methoxy-4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine.
What is the SMILES notation for [2-methoxy-4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine?
The canonical SMILES for [2-methoxy-4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine is COc1cc(CSc2ncco2)ccc1CN.
What is the InChIKey of [2-methoxy-4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine?
The InChIKey is VJPCAYKGKKEEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-15-11-6-9(2-3-10(11)7-13)8-17-12-14-4-5-16-12/h2-6H,7-8,13H2,1H3.
What are the key properties of [2-methoxy-4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine?
[2-methoxy-4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine has a molecular weight of 250.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine is sourced from PubChem (CID 106923784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).