(1S)-1-(5-methyl-1,2-oxazol-3-yl)propane-1,3-diol

C7H11NO3 — CID 142479631

IUPAC(1S)-1-(5-methyl-1,2-oxazol-3-yl)propane-1,3-diol
SMILESCc1cc([C@@H](O)CCO)no1
InChIInChI=1S/C7H11NO3/c1-5-4-6(8-11-5)7(10)2-3-9/h4,7,9-10H,2-3H2,1H3/t7-/m0/s1
InChIKeyYLOLJWVGMLKFNB-ZETCQYMHSA-N
MW157.17 g/mol
LogP0.40
Rot. Bonds3

About (1S)-1-(5-methyl-1,2-oxazol-3-yl)propane-1,3-diol

(1S)-1-(5-methyl-1,2-oxazol-3-yl)propane-1,3-diol (PubChem CID 142479631) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (1S)-1-(5-methyl-1,2-oxazol-3-yl)propane-1,3-diol.

Molecular Properties

Compound Name(1S)-1-(5-methyl-1,2-oxazol-3-yl)propane-1,3-diol
PubChem CID142479631
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(1S)-1-(5-methyl-1,2-oxazol-3-yl)propane-1,3-diol
SMILESCc1cc([C@@H](O)CCO)no1
InChIInChI=1S/C7H11NO3/c1-5-4-6(8-11-5)7(10)2-3-9/h4,7,9-10H,2-3H2,1H3/t7-/m0/s1
InChIKeyYLOLJWVGMLKFNB-ZETCQYMHSA-N
XLogP0.40
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(5-methyl-1,2-oxazol-3-yl)ethanol
CID 82417979
3-(1-iodoethyl)-5-methyl-1,2-oxazole
CID 122594172
2-amino-3-(dimethylamino)-1-(5-methyl-1,2-oxazol-3-yl)propan-1-ol
CID 82397797
5-methyl-3-(2-methylpentan-3-yl)-1,2-oxazole
CID 166844258
N-methyl-2-(5-methyl-1,2-oxazol-3-yl)propan-1-amine
CID 83826432
3-methoxy-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid
CID 83828821
(2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 107822436
N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-2-amine
CID 130891221
2-methoxy-N-methyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine
CID 83827182
N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 111662305
N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]prop-2-yn-1-amine
CID 131131589
3-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)propanoic acid
CID 83835219

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-methyl-1,2-oxazol-3-yl)propane-1,3-diol?
The IUPAC name of (1S)-1-(5-methyl-1,2-oxazol-3-yl)propane-1,3-diol (CID 142479631) is (1S)-1-(5-methyl-1,2-oxazol-3-yl)propane-1,3-diol.
What is the SMILES notation for (1S)-1-(5-methyl-1,2-oxazol-3-yl)propane-1,3-diol?
The canonical SMILES for (1S)-1-(5-methyl-1,2-oxazol-3-yl)propane-1,3-diol is Cc1cc([C@@H](O)CCO)no1.
What is the InChIKey of (1S)-1-(5-methyl-1,2-oxazol-3-yl)propane-1,3-diol?
The InChIKey is YLOLJWVGMLKFNB-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5-4-6(8-11-5)7(10)2-3-9/h4,7,9-10H,2-3H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-(5-methyl-1,2-oxazol-3-yl)propane-1,3-diol?
(1S)-1-(5-methyl-1,2-oxazol-3-yl)propane-1,3-diol has a molecular weight of 157.17 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-methyl-1,2-oxazol-3-yl)propane-1,3-diol is sourced from PubChem (CID 142479631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).