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

C7H13N3O3 — CID 106398321

IUPAC(2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol
SMILESCc1nc(CNC[C@H](O)CO)no1
InChIInChI=1S/C7H13N3O3/c1-5-9-7(10-13-5)3-8-2-6(12)4-11/h6,8,11-12H,2-4H2,1H3/t6-/m0/s1
InChIKeyABGQAZXSRAZSJK-LURJTMIESA-N
MW187.20 g/mol
LogP-1.18
Rot. Bonds5

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

(2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol (PubChem CID 106398321) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is (2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol
PubChem CID106398321
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name(2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol
SMILESCc1nc(CNC[C@H](O)CO)no1
InChIInChI=1S/C7H13N3O3/c1-5-9-7(10-13-5)3-8-2-6(12)4-11/h6,8,11-12H,2-4H2,1H3/t6-/m0/s1
InChIKeyABGQAZXSRAZSJK-LURJTMIESA-N
XLogP-1.18
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine
CID 107911870
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-2-ol
CID 107911665
1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
CID 106398102
1-[(4-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol
CID 106398482
1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
CID 106398104
(2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol
CID 79241777
3,3,3-trifluoro-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]propanoic acid
CID 106401625
1-[(2-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol
CID 106398326
1-(2,5-dichlorophenoxy)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol
CID 106398329
3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propane-1,2-diol
CID 76926965
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylpropan-1-amine
CID 113224953
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(4-methylsulfonylphenyl)ethanol
CID 106398455

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol?
The IUPAC name of (2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol (CID 106398321) is (2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol?
The canonical SMILES for (2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol is Cc1nc(CNC[C@H](O)CO)no1.
What is the InChIKey of (2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol?
The InChIKey is ABGQAZXSRAZSJK-LURJTMIESA-N. The full InChI is InChI=1S/C7H13N3O3/c1-5-9-7(10-13-5)3-8-2-6(12)4-11/h6,8,11-12H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol?
(2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol has a molecular weight of 187.20 g/mol, XLogP of -1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol is sourced from PubChem (CID 106398321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).