2-[(2,3-difluorophenoxy)methyl]-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide

C15H13F2N5O4 — CID 136776053

IUPAC2-[(2,3-difluorophenoxy)methyl]-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1coc(COc2cccc(F)c2F)n1)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C15H13F2N5O4/c1-7(13-20-15(24)22-21-13)18-14(23)9-5-26-11(19-9)6-25-10-4-2-3-8(16)12(10)17/h2-5,7H,6H2,1H3,(H,18,23)(H2,20,21,22,24)/t7-/m1/s1
InChIKeyFVTSNBMYCUYLGZ-SSDOTTSWSA-N
MW365.30 g/mol
LogP1.43
Rot. Bonds6

About 2-[(2,3-difluorophenoxy)methyl]-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide

2-[(2,3-difluorophenoxy)methyl]-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 136776053) has the molecular formula C15H13F2N5O4 and a molecular weight of 365.30 g/mol. Its IUPAC name is 2-[(2,3-difluorophenoxy)methyl]-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2,3-difluorophenoxy)methyl]-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID136776053
Molecular FormulaC15H13F2N5O4
Molecular Weight365.30 g/mol
Exact Mass365.09
IUPAC Name2-[(2,3-difluorophenoxy)methyl]-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1coc(COc2cccc(F)c2F)n1)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C15H13F2N5O4/c1-7(13-20-15(24)22-21-13)18-14(23)9-5-26-11(19-9)6-25-10-4-2-3-8(16)12(10)17/h2-5,7H,6H2,1H3,(H,18,23)(H2,20,21,22,24)/t7-/m1/s1
InChIKeyFVTSNBMYCUYLGZ-SSDOTTSWSA-N
XLogP1.43
TPSA125.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 95205239
2,3,4-trifluoro-N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]benzamide
CID 166219541
2-[(4-fluorophenoxy)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,3-oxazole-4-carboxamide
CID 42512160
2-[(4-methoxyphenoxy)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42526219
2-[(2,3-difluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazole-4-carboxamide
CID 45229428
2-[(2,3-difluorophenoxy)methyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 56702436
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 56757502
N-[1-(1H-imidazol-2-yl)ethyl]-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazole-4-carboxamide
CID 56708149
N-[(2S)-butan-2-yl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 26405987
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42189711
2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 26322993
N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide
CID 95221880

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenoxy)methyl]-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(2,3-difluorophenoxy)methyl]-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide (CID 136776053) is 2-[(2,3-difluorophenoxy)methyl]-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(2,3-difluorophenoxy)methyl]-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(2,3-difluorophenoxy)methyl]-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide is C[C@@H](NC(=O)c1coc(COc2cccc(F)c2F)n1)c1n[nH]c(=O)[nH]1.
What is the InChIKey of 2-[(2,3-difluorophenoxy)methyl]-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is FVTSNBMYCUYLGZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C15H13F2N5O4/c1-7(13-20-15(24)22-21-13)18-14(23)9-5-26-11(19-9)6-25-10-4-2-3-8(16)12(10)17/h2-5,7H,6H2,1H3,(H,18,23)(H2,20,21,22,24)/t7-/m1/s1.
What are the key properties of 2-[(2,3-difluorophenoxy)methyl]-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide?
2-[(2,3-difluorophenoxy)methyl]-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 365.30 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenoxy)methyl]-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 136776053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).