N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C9H12F2N2O3 — CID 104862788

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC(F)(F)CO)o1
InChIInChI=1S/C9H12F2N2O3/c1-5-7(16-6(2)13-5)8(15)12-3-9(10,11)4-14/h14H,3-4H2,1-2H3,(H,12,15)
InChIKeyAUDCPRAZMVJUGK-UHFFFAOYSA-N
MW234.20 g/mol
LogP0.65
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 104862788) has the molecular formula C9H12F2N2O3 and a molecular weight of 234.20 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID104862788
Molecular FormulaC9H12F2N2O3
Molecular Weight234.20 g/mol
Exact Mass234.08
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC(F)(F)CO)o1
InChIInChI=1S/C9H12F2N2O3/c1-5-7(16-6(2)13-5)8(15)12-3-9(10,11)4-14/h14H,3-4H2,1-2H3,(H,12,15)
InChIKeyAUDCPRAZMVJUGK-UHFFFAOYSA-N
XLogP0.65
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 104862788) is N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCC(F)(F)CO)o1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is AUDCPRAZMVJUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O3/c1-5-7(16-6(2)13-5)8(15)12-3-9(10,11)4-14/h14H,3-4H2,1-2H3,(H,12,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 234.20 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 104862788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).