5-[(4-methoxyphenyl)sulfanylmethyl]-4,5-dihydro-1,3-oxazol-2-amine

C11H14N2O2S — CID 3039354

IUPAC5-[(4-methoxyphenyl)sulfanylmethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOc1ccc(SCC2CN=C(N)O2)cc1
InChIInChI=1S/C11H14N2O2S/c1-14-8-2-4-10(5-3-8)16-7-9-6-13-11(12)15-9/h2-5,9H,6-7H2,1H3,(H2,12,13)
InChIKeyHZTUFMXXIKGMQU-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.50
Rot. Bonds4

About 5-[(4-methoxyphenyl)sulfanylmethyl]-4,5-dihydro-1,3-oxazol-2-amine

5-[(4-methoxyphenyl)sulfanylmethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 3039354) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)sulfanylmethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)sulfanylmethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID3039354
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name5-[(4-methoxyphenyl)sulfanylmethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOc1ccc(SCC2CN=C(N)O2)cc1
InChIInChI=1S/C11H14N2O2S/c1-14-8-2-4-10(5-3-8)16-7-9-6-13-11(12)15-9/h2-5,9H,6-7H2,1H3,(H2,12,13)
InChIKeyHZTUFMXXIKGMQU-UHFFFAOYSA-N
XLogP1.50
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)sulfanylmethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 5-[(4-methoxyphenyl)sulfanylmethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 3039354) is 5-[(4-methoxyphenyl)sulfanylmethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[(4-methoxyphenyl)sulfanylmethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 5-[(4-methoxyphenyl)sulfanylmethyl]-4,5-dihydro-1,3-oxazol-2-amine is COc1ccc(SCC2CN=C(N)O2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)sulfanylmethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is HZTUFMXXIKGMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-14-8-2-4-10(5-3-8)16-7-9-6-13-11(12)15-9/h2-5,9H,6-7H2,1H3,(H2,12,13).
What are the key properties of 5-[(4-methoxyphenyl)sulfanylmethyl]-4,5-dihydro-1,3-oxazol-2-amine?
5-[(4-methoxyphenyl)sulfanylmethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 238.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)sulfanylmethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 3039354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).