2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide

C14H13FN6O3 — CID 95205239

IUPAC2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1coc(COc2cccc(F)c2)n1)c1nn[nH]n1
InChIInChI=1S/C14H13FN6O3/c1-8(13-18-20-21-19-13)16-14(22)11-6-24-12(17-11)7-23-10-4-2-3-9(15)5-10/h2-6,8H,7H2,1H3,(H,16,22)(H,18,19,20,21)/t8-/m1/s1
InChIKeyQTGIAXUMIQVERB-MRVPVSSYSA-N
MW332.30 g/mol
LogP1.40
Rot. Bonds6

About 2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide

2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 95205239) has the molecular formula C14H13FN6O3 and a molecular weight of 332.30 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID95205239
Molecular FormulaC14H13FN6O3
Molecular Weight332.30 g/mol
Exact Mass332.10
IUPAC Name2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1coc(COc2cccc(F)c2)n1)c1nn[nH]n1
InChIInChI=1S/C14H13FN6O3/c1-8(13-18-20-21-19-13)16-14(22)11-6-24-12(17-11)7-23-10-4-2-3-9(15)5-10/h2-6,8H,7H2,1H3,(H,16,22)(H,18,19,20,21)/t8-/m1/s1
InChIKeyQTGIAXUMIQVERB-MRVPVSSYSA-N
XLogP1.40
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 56757502
2-[(3-fluorophenoxy)methyl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 26331295
2-[(3-fluorophenoxy)methyl]-N-[(3R,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 133131779
N,N-diethyl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26403838
2-[(3-fluorophenoxy)methyl]-N-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 26411631
5-[(3-fluorophenoxy)methyl]-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 95219629
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 42403951
2-(1,3-benzodioxol-5-yloxymethyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 97120399
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26399205
2-[(4-fluorophenoxy)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,3-oxazole-4-carboxamide
CID 42512160
2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 42147972
N-[(1-ethylpyrazol-4-yl)methyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 42215285

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide (CID 95205239) is 2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide is C[C@@H](NC(=O)c1coc(COc2cccc(F)c2)n1)c1nn[nH]n1.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is QTGIAXUMIQVERB-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H13FN6O3/c1-8(13-18-20-21-19-13)16-14(22)11-6-24-12(17-11)7-23-10-4-2-3-9(15)5-10/h2-6,8H,7H2,1H3,(H,16,22)(H,18,19,20,21)/t8-/m1/s1.
What are the key properties of 2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide?
2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 332.30 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 95205239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).