(2R,3S)-2-methylsulfanyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol

C10H19N3O2S — CID 97085786

IUPAC(2R,3S)-2-methylsulfanyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol
SMILESCS[C@@H](CO)[C@H](C)Nc1nc(C(C)C)no1
InChIInChI=1S/C10H19N3O2S/c1-6(2)9-12-10(15-13-9)11-7(3)8(5-14)16-4/h6-8,14H,5H2,1-4H3,(H,11,12,13)/t7-,8-/m0/s1
InChIKeyWUWKMJJZRWGRGJ-YUMQZZPRSA-N
MW245.35 g/mol
LogP1.72
Rot. Bonds6

About (2R,3S)-2-methylsulfanyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol

(2R,3S)-2-methylsulfanyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol (PubChem CID 97085786) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is (2R,3S)-2-methylsulfanyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(2R,3S)-2-methylsulfanyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol
PubChem CID97085786
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name(2R,3S)-2-methylsulfanyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol
SMILESCS[C@@H](CO)[C@H](C)Nc1nc(C(C)C)no1
InChIInChI=1S/C10H19N3O2S/c1-6(2)9-12-10(15-13-9)11-7(3)8(5-14)16-4/h6-8,14H,5H2,1-4H3,(H,11,12,13)/t7-,8-/m0/s1
InChIKeyWUWKMJJZRWGRGJ-YUMQZZPRSA-N
XLogP1.72
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,3S)-2-methylsulfanyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine
CID 83828774
3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163695
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
CID 130621708
(2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanoic acid
CID 122049666
3-(1,2-benzoxazol-3-ylamino)-2-methylsulfanylbutan-1-ol
CID 113464432
3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103819994
N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
CID 83827200
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol
CID 113239917
3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106162577
2-methylsulfanyl-3-[(3,5,6-trichloro-2-pyridinyl)amino]butan-1-ol
CID 106162580
N-hept-6-en-2-yl-3-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 133436111
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 25219499

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methylsulfanyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol?
The IUPAC name of (2R,3S)-2-methylsulfanyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol (CID 97085786) is (2R,3S)-2-methylsulfanyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol.
What is the SMILES notation for (2R,3S)-2-methylsulfanyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol?
The canonical SMILES for (2R,3S)-2-methylsulfanyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol is CS[C@@H](CO)[C@H](C)Nc1nc(C(C)C)no1.
What is the InChIKey of (2R,3S)-2-methylsulfanyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol?
The InChIKey is WUWKMJJZRWGRGJ-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-6(2)9-12-10(15-13-9)11-7(3)8(5-14)16-4/h6-8,14H,5H2,1-4H3,(H,11,12,13)/t7-,8-/m0/s1.
What are the key properties of (2R,3S)-2-methylsulfanyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol?
(2R,3S)-2-methylsulfanyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol has a molecular weight of 245.35 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methylsulfanyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol is sourced from PubChem (CID 97085786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).