1-(1,2-oxazol-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

C9H12N4O3S — CID 81178345

IUPAC1-(1,2-oxazol-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESOC(CNCc1ccon1)COc1cnsn1
InChIInChI=1S/C9H12N4O3S/c14-8(6-15-9-5-11-17-13-9)4-10-3-7-1-2-16-12-7/h1-2,5,8,10,14H,3-4,6H2
InChIKeyOWSVACSVYZNWLL-UHFFFAOYSA-N
MW256.29 g/mol
LogP0.06
Rot. Bonds7

About 1-(1,2-oxazol-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

1-(1,2-oxazol-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 81178345) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(1,2-oxazol-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID81178345
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC Name1-(1,2-oxazol-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESOC(CNCc1ccon1)COc1cnsn1
InChIInChI=1S/C9H12N4O3S/c14-8(6-15-9-5-11-17-13-9)4-10-3-7-1-2-16-12-7/h1-2,5,8,10,14H,3-4,6H2
InChIKeyOWSVACSVYZNWLL-UHFFFAOYSA-N
XLogP0.06
TPSA93.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 79242489
1-(2-methoxyphenoxy)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol
CID 81177818
1-[(3-methylphenyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54937990
1-(2-methoxyethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904146
1-[(2-methylpropan-2-yl)oxy]-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol
CID 81178583
1-(2,2-dimethylhydrazinyl)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83014161
1-[2-(5-bromothiophen-2-yl)ethylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 106047152
1-(2-cyclopentylethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54932742
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 106303059
1-(4-chloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60898515
1-[(1-ethylcyclopropyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 114099960
1-(2-butoxyethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 61171244

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-(1,2-oxazol-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 81178345) is 1-(1,2-oxazol-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-(1,2-oxazol-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-(1,2-oxazol-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is OC(CNCc1ccon1)COc1cnsn1.
What is the InChIKey of 1-(1,2-oxazol-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is OWSVACSVYZNWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S/c14-8(6-15-9-5-11-17-13-9)4-10-3-7-1-2-16-12-7/h1-2,5,8,10,14H,3-4,6H2.
What are the key properties of 1-(1,2-oxazol-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-(1,2-oxazol-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 256.29 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 81178345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).