4-(propan-2-ylsulfanylmethyl)-1,3-oxazol-2-amine

C7H12N2OS — CID 117191016

IUPAC4-(propan-2-ylsulfanylmethyl)-1,3-oxazol-2-amine
SMILESCC(C)SCc1coc(N)n1
InChIInChI=1S/C7H12N2OS/c1-5(2)11-4-6-3-10-7(8)9-6/h3,5H,4H2,1-2H3,(H2,8,9)
InChIKeyRRCXOCPDKXIYLX-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.90
Rot. Bonds3

About 4-(propan-2-ylsulfanylmethyl)-1,3-oxazol-2-amine

4-(propan-2-ylsulfanylmethyl)-1,3-oxazol-2-amine (PubChem CID 117191016) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 4-(propan-2-ylsulfanylmethyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(propan-2-ylsulfanylmethyl)-1,3-oxazol-2-amine
PubChem CID117191016
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name4-(propan-2-ylsulfanylmethyl)-1,3-oxazol-2-amine
SMILESCC(C)SCc1coc(N)n1
InChIInChI=1S/C7H12N2OS/c1-5(2)11-4-6-3-10-7(8)9-6/h3,5H,4H2,1-2H3,(H2,8,9)
InChIKeyRRCXOCPDKXIYLX-UHFFFAOYSA-N
XLogP1.90
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butan-1-amine
CID 66227894
4-(pyrrolidin-1-ylmethyl)-1,3-oxazol-2-amine
CID 117190893
(2R)-2-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylsulfanyl]propanamide
CID 97243557
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
CID 103705810
3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol
CID 103706114
1-ethyl-2-methyl-4-(propan-2-ylsulfanylmethyl)imidazole
CID 117192023
4-[(2-methoxyphenoxy)methyl]-1,3-oxazol-2-amine
CID 117190945
3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butanoic acid
CID 66138932
2-(methylsulfanylmethyl)-1,3-oxazol-4-amine
CID 117186769
5-iodo-6-phenyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 66294126
(2S)-2-amino-2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915753
methyl 2-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propanoate
CID 75510877

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylsulfanylmethyl)-1,3-oxazol-2-amine?
The IUPAC name of 4-(propan-2-ylsulfanylmethyl)-1,3-oxazol-2-amine (CID 117191016) is 4-(propan-2-ylsulfanylmethyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(propan-2-ylsulfanylmethyl)-1,3-oxazol-2-amine?
The canonical SMILES for 4-(propan-2-ylsulfanylmethyl)-1,3-oxazol-2-amine is CC(C)SCc1coc(N)n1.
What is the InChIKey of 4-(propan-2-ylsulfanylmethyl)-1,3-oxazol-2-amine?
The InChIKey is RRCXOCPDKXIYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-5(2)11-4-6-3-10-7(8)9-6/h3,5H,4H2,1-2H3,(H2,8,9).
What are the key properties of 4-(propan-2-ylsulfanylmethyl)-1,3-oxazol-2-amine?
4-(propan-2-ylsulfanylmethyl)-1,3-oxazol-2-amine has a molecular weight of 172.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylsulfanylmethyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 117191016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).