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

C19H19FN4O — CID 45248785

IUPACN-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)aniline
SMILESFc1ccc(C2(CNc3ccc(-n4cncn4)cc3)CCOC2)cc1
InChIInChI=1S/C19H19FN4O/c20-16-3-1-15(2-4-16)19(9-10-25-12-19)11-22-17-5-7-18(8-6-17)24-14-21-13-23-24/h1-8,13-14,22H,9-12H2
InChIKeyOMURAJNAZNNSLF-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.18
Rot. Bonds5

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

N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)aniline (PubChem CID 45248785) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)aniline
PubChem CID45248785
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)aniline
SMILESFc1ccc(C2(CNc3ccc(-n4cncn4)cc3)CCOC2)cc1
InChIInChI=1S/C19H19FN4O/c20-16-3-1-15(2-4-16)19(9-10-25-12-19)11-22-17-5-7-18(8-6-17)24-14-21-13-23-24/h1-8,13-14,22H,9-12H2
InChIKeyOMURAJNAZNNSLF-UHFFFAOYSA-N
XLogP3.18
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)aniline (CID 45248785) is N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)aniline is Fc1ccc(C2(CNc3ccc(-n4cncn4)cc3)CCOC2)cc1.
What is the InChIKey of N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)aniline?
The InChIKey is OMURAJNAZNNSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-16-3-1-15(2-4-16)19(9-10-25-12-19)11-22-17-5-7-18(8-6-17)24-14-21-13-23-24/h1-8,13-14,22H,9-12H2.
What are the key properties of N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)aniline?
N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)aniline has a molecular weight of 338.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 45248785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).