N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C10H14F2N2O3 — CID 107482889

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(CCO)CC(F)F)o1
InChIInChI=1S/C10H14F2N2O3/c1-6-9(17-7(2)13-6)10(16)14(3-4-15)5-8(11)12/h8,15H,3-5H2,1-2H3
InChIKeyFZKBGSBVALQUSY-UHFFFAOYSA-N
MW248.23 g/mol
LogP0.99
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 107482889) has the molecular formula C10H14F2N2O3 and a molecular weight of 248.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID107482889
Molecular FormulaC10H14F2N2O3
Molecular Weight248.23 g/mol
Exact Mass248.10
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(CCO)CC(F)F)o1
InChIInChI=1S/C10H14F2N2O3/c1-6-9(17-7(2)13-6)10(16)14(3-4-15)5-8(11)12/h8,15H,3-5H2,1-2H3
InChIKeyFZKBGSBVALQUSY-UHFFFAOYSA-N
XLogP0.99
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 107482889) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)N(CCO)CC(F)F)o1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is FZKBGSBVALQUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O3/c1-6-9(17-7(2)13-6)10(16)14(3-4-15)5-8(11)12/h8,15H,3-5H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 248.23 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 107482889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).