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

C7H13N3O3 — CID 66170575

IUPAC3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]propane-1,2-diol
SMILESCc1nonc1CNCC(O)CO
InChIInChI=1S/C7H13N3O3/c1-5-7(10-13-9-5)3-8-2-6(12)4-11/h6,8,11-12H,2-4H2,1H3
InChIKeySLDLPGCAZMKNHW-UHFFFAOYSA-N
MW187.20 g/mol
LogP-1.18
Rot. Bonds5

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

3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]propane-1,2-diol (PubChem CID 66170575) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]propane-1,2-diol
PubChem CID66170575
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]propane-1,2-diol
SMILESCc1nonc1CNCC(O)CO
InChIInChI=1S/C7H13N3O3/c1-5-7(10-13-9-5)3-8-2-6(12)4-11/h6,8,11-12H,2-4H2,1H3
InChIKeySLDLPGCAZMKNHW-UHFFFAOYSA-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

N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 5200352
(2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol
CID 79241777
5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pentan-2-ol
CID 106131592
2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol
CID 106435304
3,3-dimethyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]butan-1-ol
CID 106146861
(2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol
CID 106398321
3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propane-1,2-diol
CID 76926965
3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]pentan-3-ol
CID 65111649
[1-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]cyclopentyl]methanol
CID 115359447
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propane-1,2-diol
CID 106371905
(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
CID 93482173
(2S)-3-[(5-methylthiophen-2-yl)methylamino]propane-1,2-diol
CID 62056240

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]propane-1,2-diol?
The IUPAC name of 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]propane-1,2-diol (CID 66170575) is 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]propane-1,2-diol is Cc1nonc1CNCC(O)CO.
What is the InChIKey of 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]propane-1,2-diol?
The InChIKey is SLDLPGCAZMKNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c1-5-7(10-13-9-5)3-8-2-6(12)4-11/h6,8,11-12H,2-4H2,1H3.
What are the key properties of 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]propane-1,2-diol?
3-[(4-methyl-1,2,5-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 3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]propane-1,2-diol is sourced from PubChem (CID 66170575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).