4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-amine

C10H12N2OS — CID 68713759

IUPAC4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(CSc2ccccc2)CO1
InChIInChI=1S/C10H12N2OS/c11-10-12-8(6-13-10)7-14-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,11,12)
InChIKeyOXEGIMJKTHLUEG-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.49
Rot. Bonds3

About 4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-amine

4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 68713759) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID68713759
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(CSc2ccccc2)CO1
InChIInChI=1S/C10H12N2OS/c11-10-12-8(6-13-10)7-14-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,11,12)
InChIKeyOXEGIMJKTHLUEG-UHFFFAOYSA-N
XLogP1.49
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 68713759) is 4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-amine is NC1=NC(CSc2ccccc2)CO1.
What is the InChIKey of 4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is OXEGIMJKTHLUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c11-10-12-8(6-13-10)7-14-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,11,12).
What are the key properties of 4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-amine?
4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 208.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 68713759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).