2-[2-(difluoromethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid

C10H7F2NO4 — CID 118852427

IUPAC2-[2-(difluoromethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cccc2oc(C(F)F)nc12
InChIInChI=1S/C10H7F2NO4/c11-8(12)9-13-6-4(7(14)10(15)16)2-1-3-5(6)17-9/h1-3,7-8,14H,(H,15,16)
InChIKeyUVAKXVPCZMJTEV-UHFFFAOYSA-N
MW243.16 g/mol
LogP1.88
Rot. Bonds3

About 2-[2-(difluoromethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid

2-[2-(difluoromethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid (PubChem CID 118852427) has the molecular formula C10H7F2NO4 and a molecular weight of 243.16 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid
PubChem CID118852427
Molecular FormulaC10H7F2NO4
Molecular Weight243.16 g/mol
Exact Mass243.03
IUPAC Name2-[2-(difluoromethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cccc2oc(C(F)F)nc12
InChIInChI=1S/C10H7F2NO4/c11-8(12)9-13-6-4(7(14)10(15)16)2-1-3-5(6)17-9/h1-3,7-8,14H,(H,15,16)
InChIKeyUVAKXVPCZMJTEV-UHFFFAOYSA-N
XLogP1.88
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-1,3-benzoxazol-4-yl)-2-hydroxyacetic acid
CID 118801595
2-[2-(carboxymethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid
CID 118818652
2-(4-formyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid
CID 118820239
2-(difluoromethyl)-4-ethyl-1,3-benzoxazole
CID 118854235
2-[4-(2-ethoxy-2-oxoethyl)-1,3-benzoxazol-2-yl]-2-hydroxyacetic acid
CID 118803300
methyl 2-hydroxy-2-(2-methoxy-1,3-benzoxazol-4-yl)acetate
CID 117346029
2-[(1S)-1-hydroxyethyl]-1,3-benzoxazole-4-carboxylic acid
CID 81357922
2-(4-methoxy-1,3-benzoxazol-2-yl)propanedioic acid
CID 138472648
2-hydroxy-2-(2-iodo-1,3-benzoxazol-7-yl)acetic acid
CID 131560223
2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetic acid
CID 117313900
2-(2-chloro-1,3-benzoxazol-7-yl)-2-hydroxyacetic acid
CID 131605647
2-(4-nitro-1,3-benzoxazol-2-yl)propanoic acid
CID 83859232

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-(difluoromethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid (CID 118852427) is 2-[2-(difluoromethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-(difluoromethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-(difluoromethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid is O=C(O)C(O)c1cccc2oc(C(F)F)nc12.
What is the InChIKey of 2-[2-(difluoromethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid?
The InChIKey is UVAKXVPCZMJTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO4/c11-8(12)9-13-6-4(7(14)10(15)16)2-1-3-5(6)17-9/h1-3,7-8,14H,(H,15,16).
What are the key properties of 2-[2-(difluoromethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid?
2-[2-(difluoromethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid has a molecular weight of 243.16 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 118852427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).