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

C9H12F2N2O3 — CID 107482830

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H12F2N2O3/c1-6-7(4-12-16-6)9(15)13(2-3-14)5-8(10)11/h4,8,14H,2-3,5H2,1H3
InChIKeyYXBSPSZQFNDNPJ-UHFFFAOYSA-N
MW234.20 g/mol
LogP0.68
Rot. Bonds5

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

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 107482830) has the molecular formula C9H12F2N2O3 and a molecular weight of 234.20 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID107482830
Molecular FormulaC9H12F2N2O3
Molecular Weight234.20 g/mol
Exact Mass234.08
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H12F2N2O3/c1-6-7(4-12-16-6)9(15)13(2-3-14)5-8(10)11/h4,8,14H,2-3,5H2,1H3
InChIKeyYXBSPSZQFNDNPJ-UHFFFAOYSA-N
XLogP0.68
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 50.68
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)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 107482830) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is YXBSPSZQFNDNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O3/c1-6-7(4-12-16-6)9(15)13(2-3-14)5-8(10)11/h4,8,14H,2-3,5H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 234.20 g/mol, XLogP of 0.68, 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)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 107482830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).