7-fluoro-4-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-2-carboxamide

C17H17FN4O3 — CID 138020376

IUPAC7-fluoro-4-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(F)c2oc(C(=O)NCc3nc(C4CCOC4)n[nH]3)cc12
InChIInChI=1S/C17H17FN4O3/c1-9-2-3-12(18)15-11(9)6-13(25-15)17(23)19-7-14-20-16(22-21-14)10-4-5-24-8-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyXKFUJUGBEMCCEZ-UHFFFAOYSA-N
MW344.35 g/mol
LogP2.43
Rot. Bonds4

About 7-fluoro-4-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-2-carboxamide

7-fluoro-4-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 138020376) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is 7-fluoro-4-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-4-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID138020376
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC Name7-fluoro-4-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(F)c2oc(C(=O)NCc3nc(C4CCOC4)n[nH]3)cc12
InChIInChI=1S/C17H17FN4O3/c1-9-2-3-12(18)15-11(9)6-13(25-15)17(23)19-7-14-20-16(22-21-14)10-4-5-24-8-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyXKFUJUGBEMCCEZ-UHFFFAOYSA-N
XLogP2.43
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-4-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

4-(3-fluorophenyl)-3-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide
CID 126834385
7-chloro-N-[[3-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-4-carboxamide
CID 164634818
N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzothiazol-2-amine
CID 126836098
2-ethyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzenesulfonamide
CID 126831342
2-(4-chlorophenyl)-N-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]acetamide
CID 126823384
2-methyl-1-[2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethyl]indole
CID 74230614
3-[3-[(3S)-oxolan-3-yl]-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 124509391
N-[(2-methyl-1H-indol-5-yl)methyl]-3-(oxolan-3-yl)-1,2-oxazole-5-carboxamide
CID 123750743
3-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-2H-indazole
CID 74239172
8-methyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]quinolin-2-amine
CID 167819103
N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124939962
5-methyl-2-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 86286168

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-4-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-2-carboxamide (CID 138020376) is 7-fluoro-4-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-4-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-4-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-2-carboxamide is Cc1ccc(F)c2oc(C(=O)NCc3nc(C4CCOC4)n[nH]3)cc12.
What is the InChIKey of 7-fluoro-4-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is XKFUJUGBEMCCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-9-2-3-12(18)15-11(9)6-13(25-15)17(23)19-7-14-20-16(22-21-14)10-4-5-24-8-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 7-fluoro-4-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-2-carboxamide?
7-fluoro-4-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 138020376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).