5-[(3,4-difluorophenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1,2-oxazole-3-carboxamide

C14H14F2N2O5 — CID 56758678

IUPAC5-[(3,4-difluorophenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC(CO)CO)c1cc(COc2ccc(F)c(F)c2)on1
InChIInChI=1S/C14H14F2N2O5/c15-11-2-1-9(3-12(11)16)22-7-10-4-13(18-23-10)14(21)17-8(5-19)6-20/h1-4,8,19-20H,5-7H2,(H,17,21)
InChIKeyHWARWSLOIUREGE-UHFFFAOYSA-N
MW328.27 g/mol
LogP0.61
Rot. Bonds7

About 5-[(3,4-difluorophenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1,2-oxazole-3-carboxamide

5-[(3,4-difluorophenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 56758678) has the molecular formula C14H14F2N2O5 and a molecular weight of 328.27 g/mol. Its IUPAC name is 5-[(3,4-difluorophenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3,4-difluorophenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID56758678
Molecular FormulaC14H14F2N2O5
Molecular Weight328.27 g/mol
Exact Mass328.09
IUPAC Name5-[(3,4-difluorophenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC(CO)CO)c1cc(COc2ccc(F)c(F)c2)on1
InChIInChI=1S/C14H14F2N2O5/c15-11-2-1-9(3-12(11)16)22-7-10-4-13(18-23-10)14(21)17-8(5-19)6-20/h1-4,8,19-20H,5-7H2,(H,17,21)
InChIKeyHWARWSLOIUREGE-UHFFFAOYSA-N
XLogP0.61
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
CID 24790853
N-[(2S)-1-hydroxybutan-2-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 95230595
N-[(2R)-1-hydroxybutan-2-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 95230596
N-(1-hydroxy-3-methoxypropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114079017
[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 25459404
N-[(2R)-1-methoxybutan-2-yl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 25449037
5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63575726
5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 42101255
5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 53110041
[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone
CID 95210956
5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214370
5-[[4-[(3-chlorobenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 53110297

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3,4-difluorophenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1,2-oxazole-3-carboxamide (CID 56758678) is 5-[(3,4-difluorophenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3,4-difluorophenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3,4-difluorophenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1,2-oxazole-3-carboxamide is O=C(NC(CO)CO)c1cc(COc2ccc(F)c(F)c2)on1.
What is the InChIKey of 5-[(3,4-difluorophenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is HWARWSLOIUREGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O5/c15-11-2-1-9(3-12(11)16)22-7-10-4-13(18-23-10)14(21)17-8(5-19)6-20/h1-4,8,19-20H,5-7H2,(H,17,21).
What are the key properties of 5-[(3,4-difluorophenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1,2-oxazole-3-carboxamide?
5-[(3,4-difluorophenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 328.27 g/mol, XLogP of 0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56758678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).