3-[2-fluoro-4-(1,2-oxazol-4-ylmethoxy)phenyl]prop-2-yn-1-ol

C13H10FNO3 — CID 65202756

IUPAC3-[2-fluoro-4-(1,2-oxazol-4-ylmethoxy)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(OCc2cnoc2)cc1F
InChIInChI=1S/C13H10FNO3/c14-13-6-12(4-3-11(13)2-1-5-16)17-8-10-7-15-18-9-10/h3-4,6-7,9,16H,5,8H2
InChIKeyDNSCEIAPOABRON-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.74
Rot. Bonds3

About 3-[2-fluoro-4-(1,2-oxazol-4-ylmethoxy)phenyl]prop-2-yn-1-ol

3-[2-fluoro-4-(1,2-oxazol-4-ylmethoxy)phenyl]prop-2-yn-1-ol (PubChem CID 65202756) has the molecular formula C13H10FNO3 and a molecular weight of 247.22 g/mol. Its IUPAC name is 3-[2-fluoro-4-(1,2-oxazol-4-ylmethoxy)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-fluoro-4-(1,2-oxazol-4-ylmethoxy)phenyl]prop-2-yn-1-ol
PubChem CID65202756
Molecular FormulaC13H10FNO3
Molecular Weight247.22 g/mol
Exact Mass247.06
IUPAC Name3-[2-fluoro-4-(1,2-oxazol-4-ylmethoxy)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(OCc2cnoc2)cc1F
InChIInChI=1S/C13H10FNO3/c14-13-6-12(4-3-11(13)2-1-5-16)17-8-10-7-15-18-9-10/h3-4,6-7,9,16H,5,8H2
InChIKeyDNSCEIAPOABRON-UHFFFAOYSA-N
XLogP1.74
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]prop-2-yn-1-ol
CID 82914917
3-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 65202970
3-[2-fluoro-4-(2-fluoroethoxy)phenyl]prop-2-yn-1-ol
CID 80695113
3-[2-fluoro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 114348433
3-[4-[(2,3-difluorophenyl)methoxy]-2-fluorophenyl]prop-2-yn-1-ol
CID 65202921
4-[(4-fluorophenoxy)methyl]-1,2-oxazole
CID 61227729
3-[4-(ethoxymethoxy)-2-fluorophenyl]prop-2-yn-1-ol
CID 65369091
3-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]prop-2-yn-1-ol
CID 65202424
3-[4-(2-butoxyethoxy)-2-fluorophenyl]prop-2-yn-1-ol
CID 65203245
3-[2-fluoro-4-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 65202481
1-(3-chloroprop-1-ynyl)-4-[(3,5-dimethylphenyl)methoxy]-2-fluorobenzene
CID 65202293
4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzonitrile
CID 114322638

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(1,2-oxazol-4-ylmethoxy)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-fluoro-4-(1,2-oxazol-4-ylmethoxy)phenyl]prop-2-yn-1-ol (CID 65202756) is 3-[2-fluoro-4-(1,2-oxazol-4-ylmethoxy)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-fluoro-4-(1,2-oxazol-4-ylmethoxy)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-fluoro-4-(1,2-oxazol-4-ylmethoxy)phenyl]prop-2-yn-1-ol is OCC#Cc1ccc(OCc2cnoc2)cc1F.
What is the InChIKey of 3-[2-fluoro-4-(1,2-oxazol-4-ylmethoxy)phenyl]prop-2-yn-1-ol?
The InChIKey is DNSCEIAPOABRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-13-6-12(4-3-11(13)2-1-5-16)17-8-10-7-15-18-9-10/h3-4,6-7,9,16H,5,8H2.
What are the key properties of 3-[2-fluoro-4-(1,2-oxazol-4-ylmethoxy)phenyl]prop-2-yn-1-ol?
3-[2-fluoro-4-(1,2-oxazol-4-ylmethoxy)phenyl]prop-2-yn-1-ol has a molecular weight of 247.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(1,2-oxazol-4-ylmethoxy)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 65202756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).