1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutan-2-amine

C10H18N2OS — CID 106927874

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutan-2-amine
SMILESCc1nc(SCC(N)C(C)C)oc1C
InChIInChI=1S/C10H18N2OS/c1-6(2)9(11)5-14-10-12-7(3)8(4)13-10/h6,9H,5,11H2,1-4H3
InChIKeyYUHPAUCHNGLBRE-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.37
Rot. Bonds4

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutan-2-amine

1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutan-2-amine (PubChem CID 106927874) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutan-2-amine
PubChem CID106927874
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutan-2-amine
SMILESCc1nc(SCC(N)C(C)C)oc1C
InChIInChI=1S/C10H18N2OS/c1-6(2)9(11)5-14-10-12-7(3)8(4)13-10/h6,9H,5,11H2,1-4H3
InChIKeyYUHPAUCHNGLBRE-UHFFFAOYSA-N
XLogP2.37
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 47025888
N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide
CID 71917028
3-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-4,4,4-trifluorobutan-2-amine
CID 106922177
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,3,3-trifluoropropan-1-amine
CID 106922204
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine
CID 106922322
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile
CID 106922549
3-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-4,4,4-trifluorobutan-1-amine
CID 106923886
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine
CID 106923913
N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-2,2,2-trifluoroethanamine
CID 106925967
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-3,3,3-trifluoropropanimidamide
CID 113893558
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 113893957
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide
CID 71684783

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutan-2-amine?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutan-2-amine (CID 106927874) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutan-2-amine.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutan-2-amine?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutan-2-amine is Cc1nc(SCC(N)C(C)C)oc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutan-2-amine?
The InChIKey is YUHPAUCHNGLBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-6(2)9(11)5-14-10-12-7(3)8(4)13-10/h6,9H,5,11H2,1-4H3.
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutan-2-amine?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutan-2-amine has a molecular weight of 214.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutan-2-amine is sourced from PubChem (CID 106927874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).