(2R)-2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol

C7H13NO2 — CID 102470376

IUPAC(2R)-2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
SMILESCC1=NO[C@H]([C@H](C)CO)C1
InChIInChI=1S/C7H13NO2/c1-5(4-9)7-3-6(2)8-10-7/h5,7,9H,3-4H2,1-2H3/t5-,7+/m1/s1
InChIKeyPNEBVJSNOKNMMD-VDTYLAMSSA-N
MW143.19 g/mol
LogP0.78
Rot. Bonds2

About (2R)-2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol

(2R)-2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol (PubChem CID 102470376) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2R)-2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
PubChem CID102470376
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2R)-2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
SMILESCC1=NO[C@H]([C@H](C)CO)C1
InChIInChI=1S/C7H13NO2/c1-5(4-9)7-3-6(2)8-10-7/h5,7,9H,3-4H2,1-2H3/t5-,7+/m1/s1
InChIKeyPNEBVJSNOKNMMD-VDTYLAMSSA-N
XLogP0.78
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol?
The IUPAC name of (2R)-2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol (CID 102470376) is (2R)-2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol?
The canonical SMILES for (2R)-2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol is CC1=NO[C@H]([C@H](C)CO)C1.
What is the InChIKey of (2R)-2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol?
The InChIKey is PNEBVJSNOKNMMD-VDTYLAMSSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(4-9)7-3-6(2)8-10-7/h5,7,9H,3-4H2,1-2H3/t5-,7+/m1/s1.
What are the key properties of (2R)-2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol?
(2R)-2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol has a molecular weight of 143.19 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol is sourced from PubChem (CID 102470376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).