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

C9H12F2N2O4 — CID 113462673

IUPACN-(2,2-difluoro-3-hydroxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NCC(F)(F)CO)no1
InChIInChI=1S/C9H12F2N2O4/c1-16-3-6-2-7(13-17-6)8(15)12-4-9(10,11)5-14/h2,14H,3-5H2,1H3,(H,12,15)
InChIKeyGVHPVGSJONEITA-UHFFFAOYSA-N
MW250.20 g/mol
LogP0.18
Rot. Bonds6

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

N-(2,2-difluoro-3-hydroxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 113462673) has the molecular formula C9H12F2N2O4 and a molecular weight of 250.20 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID113462673
Molecular FormulaC9H12F2N2O4
Molecular Weight250.20 g/mol
Exact Mass250.08
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NCC(F)(F)CO)no1
InChIInChI=1S/C9H12F2N2O4/c1-16-3-6-2-7(13-17-6)8(15)12-4-9(10,11)5-14/h2,14H,3-5H2,1H3,(H,12,15)
InChIKeyGVHPVGSJONEITA-UHFFFAOYSA-N
XLogP0.18
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 ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156577
N-(3-bromo-2,2-dimethylpropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 115364910
N-[2-(bromomethyl)-2-ethylbutyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114164791
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 103890936
N-(5-bromo-2,2-dimethylpentyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114149721
N-[[4-(4-hydroxyphenyl)phenyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 75374644
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025
N-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 124685846
(2S)-2-hydroxy-4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 107834693
N-(1-hydroxy-3-methoxypropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114079017
5-(methoxymethyl)-N-[(3R)-3-methyloxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 97244455
5-(methoxymethyl)-N-(3-methyloxolan-3-yl)-1,2-oxazole-3-carboxamide
CID 75390106

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 113462673) is N-(2,2-difluoro-3-hydroxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)NCC(F)(F)CO)no1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is GVHPVGSJONEITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O4/c1-16-3-6-2-7(13-17-6)8(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)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 250.20 g/mol, XLogP of 0.18, 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)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 113462673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).