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

C8H14N2O3 — CID 76926965

IUPAC3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propane-1,2-diol
SMILESCc1cc(CNCC(O)CO)on1
InChIInChI=1S/C8H14N2O3/c1-6-2-8(13-10-6)4-9-3-7(12)5-11/h2,7,9,11-12H,3-5H2,1H3
InChIKeyRBWJJUIOUIBRJW-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.57
Rot. Bonds5

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

3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propane-1,2-diol (PubChem CID 76926965) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propane-1,2-diol
PubChem CID76926965
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propane-1,2-diol
SMILESCc1cc(CNCC(O)CO)on1
InChIInChI=1S/C8H14N2O3/c1-6-2-8(13-10-6)4-9-3-7(12)5-11/h2,7,9,11-12H,3-5H2,1H3
InChIKeyRBWJJUIOUIBRJW-UHFFFAOYSA-N
XLogP-0.57
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propane-1,2-diol with MolForge

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Related Compounds

1-(3-methoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanol
CID 81135106
(2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol
CID 79241777
(2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol
CID 106398321
N'-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanimidamide
CID 77032798
(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid
CID 83195269
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propane-1,2-diol
CID 106371905
3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]propane-1,2-diol
CID 66170575
2-N,2-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propane-1,2-diamine
CID 62846772
tert-butyl N-[3-methyl-2-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]butyl]carbamate
CID 107442106
N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine
CID 82594380
1-(4-fluoro-2-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 62135129
3-chloro-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
CID 62726666

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propane-1,2-diol?
The IUPAC name of 3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propane-1,2-diol (CID 76926965) is 3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propane-1,2-diol is Cc1cc(CNCC(O)CO)on1.
What is the InChIKey of 3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propane-1,2-diol?
The InChIKey is RBWJJUIOUIBRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6-2-8(13-10-6)4-9-3-7(12)5-11/h2,7,9,11-12H,3-5H2,1H3.
What are the key properties of 3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propane-1,2-diol?
3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propane-1,2-diol has a molecular weight of 186.21 g/mol, XLogP of -0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propane-1,2-diol is sourced from PubChem (CID 76926965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).