(2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol

C9H16N2O3 — CID 79241777

IUPAC(2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol
SMILESCc1noc(C)c1CNC[C@H](O)CO
InChIInChI=1S/C9H16N2O3/c1-6-9(7(2)14-11-6)4-10-3-8(13)5-12/h8,10,12-13H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyFSTTXHUXOFKOKR-QMMMGPOBSA-N
MW200.24 g/mol
LogP-0.27
Rot. Bonds5

About (2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol

(2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol (PubChem CID 79241777) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol
PubChem CID79241777
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol
SMILESCc1noc(C)c1CNC[C@H](O)CO
InChIInChI=1S/C9H16N2O3/c1-6-9(7(2)14-11-6)4-10-3-8(13)5-12/h8,10,12-13H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyFSTTXHUXOFKOKR-QMMMGPOBSA-N
XLogP-0.27
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol
CID 28833064
1-cyclopentyloxy-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol
CID 78974797
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 78974915
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 78971544
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpentan-1-amine
CID 97047825
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 79242489
3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]propane-1,2-diol
CID 66170575
1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43210207
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 78974816
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 103685342
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butan-1-ol
CID 28781690

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol?
The IUPAC name of (2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol (CID 79241777) is (2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol?
The canonical SMILES for (2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol is Cc1noc(C)c1CNC[C@H](O)CO.
What is the InChIKey of (2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol?
The InChIKey is FSTTXHUXOFKOKR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6-9(7(2)14-11-6)4-10-3-8(13)5-12/h8,10,12-13H,3-5H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol?
(2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol has a molecular weight of 200.24 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol is sourced from PubChem (CID 79241777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).