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

C16H19FN4O3 — CID 126770273

IUPACN-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-(oxolan-3-ylmethoxy)acetamide
SMILESO=C(COCC1CCOC1)Nc1n[nH]c(Cc2cccc(F)c2)n1
InChIInChI=1S/C16H19FN4O3/c17-13-3-1-2-11(6-13)7-14-18-16(21-20-14)19-15(22)10-24-9-12-4-5-23-8-12/h1-3,6,12H,4-5,7-10H2,(H2,18,19,20,21,22)
InChIKeyAJDBEFUZNMWSOT-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.53
Rot. Bonds7

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

N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-(oxolan-3-ylmethoxy)acetamide (PubChem CID 126770273) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-(oxolan-3-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-(oxolan-3-ylmethoxy)acetamide
PubChem CID126770273
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC NameN-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-(oxolan-3-ylmethoxy)acetamide
SMILESO=C(COCC1CCOC1)Nc1n[nH]c(Cc2cccc(F)c2)n1
InChIInChI=1S/C16H19FN4O3/c17-13-3-1-2-11(6-13)7-14-18-16(21-20-14)19-15(22)10-24-9-12-4-5-23-8-12/h1-3,6,12H,4-5,7-10H2,(H2,18,19,20,21,22)
InChIKeyAJDBEFUZNMWSOT-UHFFFAOYSA-N
XLogP1.53
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide
CID 126767956
N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 75501229
2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736416
1-butan-2-yl-5-cyclopropyl-N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide
CID 126773395
N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-propylpyrazole-3-carboxamide
CID 146081811
N-(3-chloro-4-methylphenyl)-2-[[(3R)-oxolan-3-yl]methoxy]acetamide
CID 95346415
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-[[(3R)-oxolan-3-yl]methoxy]acetamide
CID 95349735
N-(4,5-diphenyl-1,3-oxazol-2-yl)-2-(oxolan-3-ylmethoxy)acetamide
CID 126766426
2-(oxan-4-ylmethoxy)-N-(3,4,5-trimethylphenyl)acetamide
CID 166373779
1-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanone
CID 54977204
2-[2-(3-fluorophenyl)ethoxy]-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide
CID 167756632
N-(1-tert-butyl-3-phenylpyrazol-5-yl)-2-(oxolan-3-ylmethoxy)acetamide
CID 126792887

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-(oxolan-3-ylmethoxy)acetamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-(oxolan-3-ylmethoxy)acetamide (CID 126770273) is N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-(oxolan-3-ylmethoxy)acetamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-(oxolan-3-ylmethoxy)acetamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-(oxolan-3-ylmethoxy)acetamide is O=C(COCC1CCOC1)Nc1n[nH]c(Cc2cccc(F)c2)n1.
What is the InChIKey of N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-(oxolan-3-ylmethoxy)acetamide?
The InChIKey is AJDBEFUZNMWSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c17-13-3-1-2-11(6-13)7-14-18-16(21-20-14)19-15(22)10-24-9-12-4-5-23-8-12/h1-3,6,12H,4-5,7-10H2,(H2,18,19,20,21,22).
What are the key properties of N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-(oxolan-3-ylmethoxy)acetamide?
N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-(oxolan-3-ylmethoxy)acetamide has a molecular weight of 334.35 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-(oxolan-3-ylmethoxy)acetamide is sourced from PubChem (CID 126770273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).