1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

C11H16N4O3S — CID 79242489

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCc1noc(C)c1CNCC(O)COc1cnsn1
InChIInChI=1S/C11H16N4O3S/c1-7-10(8(2)18-14-7)4-12-3-9(16)6-17-11-5-13-19-15-11/h5,9,12,16H,3-4,6H2,1-2H3
InChIKeyYDCSZHAKSJUTGK-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.67
Rot. Bonds7

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 79242489) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID79242489
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCc1noc(C)c1CNCC(O)COc1cnsn1
InChIInChI=1S/C11H16N4O3S/c1-7-10(8(2)18-14-7)4-12-3-9(16)6-17-11-5-13-19-15-11/h5,9,12,16H,3-4,6H2,1-2H3
InChIKeyYDCSZHAKSJUTGK-UHFFFAOYSA-N
XLogP0.67
TPSA93.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(3-methylphenyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54937990
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 78974915
1-(1,2-oxazol-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81178345
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 78971544
1-(2-methoxyethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904146
1-(2,2-dimethylhydrazinyl)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83014161
(2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol
CID 79241777
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 78974816
1-(1-methoxypropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60898042
1-cyclopentyloxy-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol
CID 78974797
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 106303059
2-[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]-3-methylbutan-1-ol
CID 79249568

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 79242489) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is Cc1noc(C)c1CNCC(O)COc1cnsn1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is YDCSZHAKSJUTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-7-10(8(2)18-14-7)4-12-3-9(16)6-17-11-5-13-19-15-11/h5,9,12,16H,3-4,6H2,1-2H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 284.34 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 79242489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).