4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid

C14H13F2NO4 — CID 103198883

IUPAC4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid
SMILESCCCOc1cccc(-c2nc(C(F)F)c(C(=O)O)o2)c1
InChIInChI=1S/C14H13F2NO4/c1-2-6-20-9-5-3-4-8(7-9)13-17-10(12(15)16)11(21-13)14(18)19/h3-5,7,12H,2,6H2,1H3,(H,18,19)
InChIKeyHMAAFVPNYFSOSX-UHFFFAOYSA-N
MW297.26 g/mol
LogP3.77
Rot. Bonds6

About 4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid

4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 103198883) has the molecular formula C14H13F2NO4 and a molecular weight of 297.26 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid
PubChem CID103198883
Molecular FormulaC14H13F2NO4
Molecular Weight297.26 g/mol
Exact Mass297.08
IUPAC Name4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid
SMILESCCCOc1cccc(-c2nc(C(F)F)c(C(=O)O)o2)c1
InChIInChI=1S/C14H13F2NO4/c1-2-6-20-9-5-3-4-8(7-9)13-17-10(12(15)16)11(21-13)14(18)19/h3-5,7,12H,2,6H2,1H3,(H,18,19)
InChIKeyHMAAFVPNYFSOSX-UHFFFAOYSA-N
XLogP3.77
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 104842346
2-[3-(difluoromethoxy)phenyl]-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373848
methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112618867
2-(4-tert-butylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103198975
5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 62919017
2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 62497635
4-(difluoromethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazole-5-carboxylic acid
CID 103198964
3-bromo-5-(3-propoxyphenyl)-1,2,4-oxadiazole
CID 112571624
3-[2-methyl-6-(3-propoxyphenyl)-3-pyridinyl]propanoic acid
CID 82453060
4-(difluoromethyl)-2-(2,4,6-trimethylphenyl)-1,3-oxazole-5-carboxylic acid
CID 103198841
8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid
CID 7139834
2-(1-bromopropyl)-5-(3-propoxyphenyl)-1,3,4-oxadiazole
CID 62919503

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid (CID 103198883) is 4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid is CCCOc1cccc(-c2nc(C(F)F)c(C(=O)O)o2)c1.
What is the InChIKey of 4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is HMAAFVPNYFSOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO4/c1-2-6-20-9-5-3-4-8(7-9)13-17-10(12(15)16)11(21-13)14(18)19/h3-5,7,12H,2,6H2,1H3,(H,18,19).
What are the key properties of 4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid?
4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 297.26 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103198883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).