5-(difluoromethyl)-3-(1H-imidazol-5-yl)-1,2-oxazole-4-carboxylic acid

C8H5F2N3O3 — CID 165449877

IUPAC5-(difluoromethyl)-3-(1H-imidazol-5-yl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2cnc[nH]2)noc1C(F)F
InChIInChI=1S/C8H5F2N3O3/c9-7(10)6-4(8(14)15)5(13-16-6)3-1-11-2-12-3/h1-2,7H,(H,11,12)(H,14,15)
InChIKeyGCXXAQWEGYTFCM-UHFFFAOYSA-N
MW229.14 g/mol
LogP1.70
Rot. Bonds3

About 5-(difluoromethyl)-3-(1H-imidazol-5-yl)-1,2-oxazole-4-carboxylic acid

5-(difluoromethyl)-3-(1H-imidazol-5-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 165449877) has the molecular formula C8H5F2N3O3 and a molecular weight of 229.14 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-(1H-imidazol-5-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-3-(1H-imidazol-5-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID165449877
Molecular FormulaC8H5F2N3O3
Molecular Weight229.14 g/mol
Exact Mass229.03
IUPAC Name5-(difluoromethyl)-3-(1H-imidazol-5-yl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2cnc[nH]2)noc1C(F)F
InChIInChI=1S/C8H5F2N3O3/c9-7(10)6-4(8(14)15)5(13-16-6)3-1-11-2-12-3/h1-2,7H,(H,11,12)(H,14,15)
InChIKeyGCXXAQWEGYTFCM-UHFFFAOYSA-N
XLogP1.70
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.14
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-(1H-imidazol-5-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-3-(1H-imidazol-5-yl)-1,2-oxazole-4-carboxylic acid (CID 165449877) is 5-(difluoromethyl)-3-(1H-imidazol-5-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-3-(1H-imidazol-5-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-3-(1H-imidazol-5-yl)-1,2-oxazole-4-carboxylic acid is O=C(O)c1c(-c2cnc[nH]2)noc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-3-(1H-imidazol-5-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is GCXXAQWEGYTFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3O3/c9-7(10)6-4(8(14)15)5(13-16-6)3-1-11-2-12-3/h1-2,7H,(H,11,12)(H,14,15).
What are the key properties of 5-(difluoromethyl)-3-(1H-imidazol-5-yl)-1,2-oxazole-4-carboxylic acid?
5-(difluoromethyl)-3-(1H-imidazol-5-yl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 229.14 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-(1H-imidazol-5-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 165449877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).