4-(3-fluorophenyl)-3-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide

C18H23FN4O2 — CID 126834385

IUPAC4-(3-fluorophenyl)-3-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide
SMILESCC(CC(=O)NCc1nc(C2CCOC2)n[nH]1)Cc1cccc(F)c1
InChIInChI=1S/C18H23FN4O2/c1-12(7-13-3-2-4-15(19)9-13)8-17(24)20-10-16-21-18(23-22-16)14-5-6-25-11-14/h2-4,9,12,14H,5-8,10-11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyYMWWBZDWUGFCAS-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.33
Rot. Bonds7

About 4-(3-fluorophenyl)-3-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide

4-(3-fluorophenyl)-3-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide (PubChem CID 126834385) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide
PubChem CID126834385
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name4-(3-fluorophenyl)-3-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide
SMILESCC(CC(=O)NCc1nc(C2CCOC2)n[nH]1)Cc1cccc(F)c1
InChIInChI=1S/C18H23FN4O2/c1-12(7-13-3-2-4-15(19)9-13)8-17(24)20-10-16-21-18(23-22-16)14-5-6-25-11-14/h2-4,9,12,14H,5-8,10-11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyYMWWBZDWUGFCAS-UHFFFAOYSA-N
XLogP2.33
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-fluorophenyl)-3-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide with MolForge

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Related Compounds

7-fluoro-4-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-2-carboxamide
CID 138020376
2-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]acetic acid
CID 119350465
4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide
CID 111542772
4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide
CID 119464064
N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119997569
N-[(3-fluorophenyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472232
N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119499131
7-chloro-N-[[3-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-4-carboxamide
CID 164634818
N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide
CID 126767956
N-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119408534
3-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]butanoic acid
CID 119347966
N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzothiazol-2-amine
CID 126836098

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide?
The IUPAC name of 4-(3-fluorophenyl)-3-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide (CID 126834385) is 4-(3-fluorophenyl)-3-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide.
What is the SMILES notation for 4-(3-fluorophenyl)-3-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide?
The canonical SMILES for 4-(3-fluorophenyl)-3-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide is CC(CC(=O)NCc1nc(C2CCOC2)n[nH]1)Cc1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-3-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide?
The InChIKey is YMWWBZDWUGFCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-12(7-13-3-2-4-15(19)9-13)8-17(24)20-10-16-21-18(23-22-16)14-5-6-25-11-14/h2-4,9,12,14H,5-8,10-11H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 4-(3-fluorophenyl)-3-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide?
4-(3-fluorophenyl)-3-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide has a molecular weight of 346.41 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3-methyl-N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]butanamide is sourced from PubChem (CID 126834385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).