3-(3-methoxy-1,2-oxazol-5-yl)propan-1-ol

C7H11NO3 — CID 45099142

IUPAC3-(3-methoxy-1,2-oxazol-5-yl)propan-1-ol
SMILESCOc1cc(CCCO)on1
InChIInChI=1S/C7H11NO3/c1-10-7-5-6(11-8-7)3-2-4-9/h5,9H,2-4H2,1H3
InChIKeyJJLMMGBWYSOKPX-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.61
Rot. Bonds4

About 3-(3-methoxy-1,2-oxazol-5-yl)propan-1-ol

3-(3-methoxy-1,2-oxazol-5-yl)propan-1-ol (PubChem CID 45099142) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-(3-methoxy-1,2-oxazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-methoxy-1,2-oxazol-5-yl)propan-1-ol
PubChem CID45099142
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-(3-methoxy-1,2-oxazol-5-yl)propan-1-ol
SMILESCOc1cc(CCCO)on1
InChIInChI=1S/C7H11NO3/c1-10-7-5-6(11-8-7)3-2-4-9/h5,9H,2-4H2,1H3
InChIKeyJJLMMGBWYSOKPX-UHFFFAOYSA-N
XLogP0.61
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Methoxy-1,2-oxazol-5-yl)propanoic acid
CID 327719
1-(3-Methoxy-1,2-oxazol-5-yl)ethan-1-one
CID 12196361
2-(3-Methoxy-1,2-oxazol-5-yl)acetonitrile
CID 84762527
2-(3-Methoxy-1,2-oxazol-5-yl)ethan-1-ol
CID 86116587
3-(3-Ethoxyisoxazol-5-yl)propanoic acid
CID 6484473
3-(2,2-Difluoroethoxy)-5-ethyl-1,2-oxazole
CID 168169023
3-(Difluoromethoxy)-5-propan-2-yl-1,2-oxazole
CID 170179528
2,2,3,3-Tetrafluoropropyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate
CID 154763566
2-Fluoro-1-(3-methoxy-1,2-oxazol-5-yl)ethan-1-ol
CID 165608755
3-Fluoro-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-amine
CID 165608761
(1S)-2,2,2-trifluoro-1-(3-methoxy-1,2-oxazol-5-yl)ethan-1-ol
CID 165629682
3,3-Difluoro-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-ol
CID 165629687

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,2-oxazol-5-yl)propan-1-ol?
The IUPAC name of 3-(3-methoxy-1,2-oxazol-5-yl)propan-1-ol (CID 45099142) is 3-(3-methoxy-1,2-oxazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-(3-methoxy-1,2-oxazol-5-yl)propan-1-ol?
The canonical SMILES for 3-(3-methoxy-1,2-oxazol-5-yl)propan-1-ol is COc1cc(CCCO)on1.
What is the InChIKey of 3-(3-methoxy-1,2-oxazol-5-yl)propan-1-ol?
The InChIKey is JJLMMGBWYSOKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-10-7-5-6(11-8-7)3-2-4-9/h5,9H,2-4H2,1H3.
What are the key properties of 3-(3-methoxy-1,2-oxazol-5-yl)propan-1-ol?
3-(3-methoxy-1,2-oxazol-5-yl)propan-1-ol has a molecular weight of 157.17 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,2-oxazol-5-yl)propan-1-ol is sourced from PubChem (CID 45099142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).