N-(2,2-difluoro-3-hydroxypropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide

C9H12F2N2O4 — CID 113462718

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
SMILESCc1cc(OCC(=O)NCC(F)(F)CO)no1
InChIInChI=1S/C9H12F2N2O4/c1-6-2-8(13-17-6)16-3-7(15)12-4-9(10,11)5-14/h2,14H,3-5H2,1H3,(H,12,15)
InChIKeyVARXOTFCBWYREZ-UHFFFAOYSA-N
MW250.20 g/mol
LogP0.11
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide (PubChem CID 113462718) has the molecular formula C9H12F2N2O4 and a molecular weight of 250.20 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
PubChem CID113462718
Molecular FormulaC9H12F2N2O4
Molecular Weight250.20 g/mol
Exact Mass250.08
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
SMILESCc1cc(OCC(=O)NCC(F)(F)CO)no1
InChIInChI=1S/C9H12F2N2O4/c1-6-2-8(13-17-6)16-3-7(15)12-4-9(10,11)5-14/h2,14H,3-5H2,1H3,(H,12,15)
InChIKeyVARXOTFCBWYREZ-UHFFFAOYSA-N
XLogP0.11
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 65109456
N-(3-hydroxy-2-methylpropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 65034360
N-(2-bromoprop-2-enyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 115594509
7-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]heptanoic acid
CID 43359027
3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
CID 81065180
N-[2-(2-hydroxyethyl)pentyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 103725725
N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide
CID 104857091
3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
CID 43467740
N-(4-hydroxycyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 43392091
N-(2-hydroxy-2-phenylethyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 43394020
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 114182062
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
CID 31061860

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide (CID 113462718) is N-(2,2-difluoro-3-hydroxypropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide is Cc1cc(OCC(=O)NCC(F)(F)CO)no1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide?
The InChIKey is VARXOTFCBWYREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O4/c1-6-2-8(13-17-6)16-3-7(15)12-4-9(10,11)5-14/h2,14H,3-5H2,1H3,(H,12,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide has a molecular weight of 250.20 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide is sourced from PubChem (CID 113462718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).