1-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methylamino)butane-1,2-diol

C10H18N2O3 — CID 171889724

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methylamino)butane-1,2-diol
SMILESCNCCC(O)C(O)c1c(C)noc1C
InChIInChI=1S/C10H18N2O3/c1-6-9(7(2)15-12-6)10(14)8(13)4-5-11-3/h8,10-11,13-14H,4-5H2,1-3H3
InChIKeyVQMJTEWGFZTEOE-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.30
Rot. Bonds5

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methylamino)butane-1,2-diol

1-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methylamino)butane-1,2-diol (PubChem CID 171889724) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methylamino)butane-1,2-diol.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methylamino)butane-1,2-diol
PubChem CID171889724
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methylamino)butane-1,2-diol
SMILESCNCCC(O)C(O)c1c(C)noc1C
InChIInChI=1S/C10H18N2O3/c1-6-9(7(2)15-12-6)10(14)8(13)4-5-11-3/h8,10-11,13-14H,4-5H2,1-3H3
InChIKeyVQMJTEWGFZTEOE-UHFFFAOYSA-N
XLogP0.30
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-1-ol
CID 82406639
tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroxypropyl]carbamate
CID 170831622
9H-fluoren-9-ylmethyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydroxybutyl]carbamate
CID 171886140
1-(4-hydroxy-2,6-dimethylphenyl)-4-(methylamino)butane-1,2-diol
CID 171890167
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-3-methylpentyl)butanamide
CID 109380177
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypentanamide
CID 79237770
methyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 131448183
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pentan-3-amine
CID 115896745
2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoic acid
CID 47003039
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine
CID 23006357
1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-yn-1-ol
CID 86720328
6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol
CID 113428834

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methylamino)butane-1,2-diol?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methylamino)butane-1,2-diol (CID 171889724) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methylamino)butane-1,2-diol.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methylamino)butane-1,2-diol?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methylamino)butane-1,2-diol is CNCCC(O)C(O)c1c(C)noc1C.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methylamino)butane-1,2-diol?
The InChIKey is VQMJTEWGFZTEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6-9(7(2)15-12-6)10(14)8(13)4-5-11-3/h8,10-11,13-14H,4-5H2,1-3H3.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methylamino)butane-1,2-diol?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methylamino)butane-1,2-diol has a molecular weight of 214.26 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methylamino)butane-1,2-diol is sourced from PubChem (CID 171889724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).