4-(difluoromethyl)-2-[(1R)-1-hydroxyethyl]-1,3-oxazole-5-carbaldehyde

C7H7F2NO3 — CID 175961606

IUPAC4-(difluoromethyl)-2-[(1R)-1-hydroxyethyl]-1,3-oxazole-5-carbaldehyde
SMILESC[C@@H](O)c1nc(C(F)F)c(C=O)o1
InChIInChI=1S/C7H7F2NO3/c1-3(12)7-10-5(6(8)9)4(2-11)13-7/h2-3,6,12H,1H3/t3-/m1/s1
InChIKeyPVCLUKCHLYPTCS-GSVOUGTGSA-N
MW191.13 g/mol
LogP1.48
Rot. Bonds3

About 4-(difluoromethyl)-2-[(1R)-1-hydroxyethyl]-1,3-oxazole-5-carbaldehyde

4-(difluoromethyl)-2-[(1R)-1-hydroxyethyl]-1,3-oxazole-5-carbaldehyde (PubChem CID 175961606) has the molecular formula C7H7F2NO3 and a molecular weight of 191.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-[(1R)-1-hydroxyethyl]-1,3-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-2-[(1R)-1-hydroxyethyl]-1,3-oxazole-5-carbaldehyde
PubChem CID175961606
Molecular FormulaC7H7F2NO3
Molecular Weight191.13 g/mol
Exact Mass191.04
IUPAC Name4-(difluoromethyl)-2-[(1R)-1-hydroxyethyl]-1,3-oxazole-5-carbaldehyde
SMILESC[C@@H](O)c1nc(C(F)F)c(C=O)o1
InChIInChI=1S/C7H7F2NO3/c1-3(12)7-10-5(6(8)9)4(2-11)13-7/h2-3,6,12H,1H3/t3-/m1/s1
InChIKeyPVCLUKCHLYPTCS-GSVOUGTGSA-N
XLogP1.48
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.13
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-[(1R)-1-hydroxyethyl]-1,3-oxazole-5-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-2-[(1R)-1-hydroxyethyl]-1,3-oxazole-5-carbaldehyde (CID 175961606) is 4-(difluoromethyl)-2-[(1R)-1-hydroxyethyl]-1,3-oxazole-5-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-2-[(1R)-1-hydroxyethyl]-1,3-oxazole-5-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-2-[(1R)-1-hydroxyethyl]-1,3-oxazole-5-carbaldehyde is C[C@@H](O)c1nc(C(F)F)c(C=O)o1.
What is the InChIKey of 4-(difluoromethyl)-2-[(1R)-1-hydroxyethyl]-1,3-oxazole-5-carbaldehyde?
The InChIKey is PVCLUKCHLYPTCS-GSVOUGTGSA-N. The full InChI is InChI=1S/C7H7F2NO3/c1-3(12)7-10-5(6(8)9)4(2-11)13-7/h2-3,6,12H,1H3/t3-/m1/s1.
What are the key properties of 4-(difluoromethyl)-2-[(1R)-1-hydroxyethyl]-1,3-oxazole-5-carbaldehyde?
4-(difluoromethyl)-2-[(1R)-1-hydroxyethyl]-1,3-oxazole-5-carbaldehyde has a molecular weight of 191.13 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-[(1R)-1-hydroxyethyl]-1,3-oxazole-5-carbaldehyde is sourced from PubChem (CID 175961606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).