2-methyl-3-(1,3-oxazol-2-ylsulfanyl)-N-propan-2-ylpropan-1-amine

C10H18N2OS — CID 106924241

IUPAC2-methyl-3-(1,3-oxazol-2-ylsulfanyl)-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)CSc1ncco1
InChIInChI=1S/C10H18N2OS/c1-8(2)12-6-9(3)7-14-10-11-4-5-13-10/h4-5,8-9,12H,6-7H2,1-3H3
InChIKeyBLXSAFXHXZBVSQ-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.40
Rot. Bonds6

About 2-methyl-3-(1,3-oxazol-2-ylsulfanyl)-N-propan-2-ylpropan-1-amine

2-methyl-3-(1,3-oxazol-2-ylsulfanyl)-N-propan-2-ylpropan-1-amine (PubChem CID 106924241) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-methyl-3-(1,3-oxazol-2-ylsulfanyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(1,3-oxazol-2-ylsulfanyl)-N-propan-2-ylpropan-1-amine
PubChem CID106924241
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-methyl-3-(1,3-oxazol-2-ylsulfanyl)-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)CSc1ncco1
InChIInChI=1S/C10H18N2OS/c1-8(2)12-6-9(3)7-14-10-11-4-5-13-10/h4-5,8-9,12H,6-7H2,1-3H3
InChIKeyBLXSAFXHXZBVSQ-UHFFFAOYSA-N
XLogP2.40
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,3-oxazol-2-ylsulfanyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-3-(1,3-oxazol-2-ylsulfanyl)-N-propan-2-ylpropan-1-amine (CID 106924241) is 2-methyl-3-(1,3-oxazol-2-ylsulfanyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-3-(1,3-oxazol-2-ylsulfanyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-3-(1,3-oxazol-2-ylsulfanyl)-N-propan-2-ylpropan-1-amine is CC(CNC(C)C)CSc1ncco1.
What is the InChIKey of 2-methyl-3-(1,3-oxazol-2-ylsulfanyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is BLXSAFXHXZBVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8(2)12-6-9(3)7-14-10-11-4-5-13-10/h4-5,8-9,12H,6-7H2,1-3H3.
What are the key properties of 2-methyl-3-(1,3-oxazol-2-ylsulfanyl)-N-propan-2-ylpropan-1-amine?
2-methyl-3-(1,3-oxazol-2-ylsulfanyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 214.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,3-oxazol-2-ylsulfanyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 106924241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).