4-phenyl-2-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylimidazol-1-amine

C16H19N5OS — CID 35155448

IUPAC4-phenyl-2-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylimidazol-1-amine
SMILESCC(C)c1noc([C@H](C)Sc2nc(-c3ccccc3)cn2N)n1
InChIInChI=1S/C16H19N5OS/c1-10(2)14-19-15(22-20-14)11(3)23-16-18-13(9-21(16)17)12-7-5-4-6-8-12/h4-11H,17H2,1-3H3/t11-/m0/s1
InChIKeyJGHYPTOHYKARAZ-NSHDSACASA-N
MW329.43 g/mol
LogP3.62
Rot. Bonds5

About 4-phenyl-2-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylimidazol-1-amine

4-phenyl-2-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylimidazol-1-amine (PubChem CID 35155448) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-phenyl-2-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylimidazol-1-amine.

Molecular Properties

Compound Name4-phenyl-2-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylimidazol-1-amine
PubChem CID35155448
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name4-phenyl-2-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylimidazol-1-amine
SMILESCC(C)c1noc([C@H](C)Sc2nc(-c3ccccc3)cn2N)n1
InChIInChI=1S/C16H19N5OS/c1-10(2)14-19-15(22-20-14)11(3)23-16-18-13(9-21(16)17)12-7-5-4-6-8-12/h4-11H,17H2,1-3H3/t11-/m0/s1
InChIKeyJGHYPTOHYKARAZ-NSHDSACASA-N
XLogP3.62
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-phenyl-2-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylimidazol-1-amine with MolForge

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Related Compounds

5-[(1S)-1-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 35163510
5-[(1R)-1-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 35193100
3-propan-2-yl-5-[1-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 42884704
4-[4-phenyl-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]morpholine
CID 42948053
4-[4-phenyl-5-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]morpholine
CID 25332216
5-[(1S)-1-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 25349236
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 16592251
3-cyclopentyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one
CID 42947997
5-[(1S)-1-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 25343180
2-phenyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62884547
4-phenyl-8-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,5,7-trien-3-one
CID 42947980
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 4828697

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylimidazol-1-amine?
The IUPAC name of 4-phenyl-2-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylimidazol-1-amine (CID 35155448) is 4-phenyl-2-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylimidazol-1-amine.
What is the SMILES notation for 4-phenyl-2-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylimidazol-1-amine?
The canonical SMILES for 4-phenyl-2-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylimidazol-1-amine is CC(C)c1noc([C@H](C)Sc2nc(-c3ccccc3)cn2N)n1.
What is the InChIKey of 4-phenyl-2-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylimidazol-1-amine?
The InChIKey is JGHYPTOHYKARAZ-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N5OS/c1-10(2)14-19-15(22-20-14)11(3)23-16-18-13(9-21(16)17)12-7-5-4-6-8-12/h4-11H,17H2,1-3H3/t11-/m0/s1.
What are the key properties of 4-phenyl-2-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylimidazol-1-amine?
4-phenyl-2-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylimidazol-1-amine has a molecular weight of 329.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylimidazol-1-amine is sourced from PubChem (CID 35155448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).