N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline

C20H22FN5O — CID 654133

IUPACN-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline
SMILESCN(c1ccccc1)C(c1ccc(F)cc1)c1nnnn1CC1CCCO1
InChIInChI=1S/C20H22FN5O/c1-25(17-6-3-2-4-7-17)19(15-9-11-16(21)12-10-15)20-22-23-24-26(20)14-18-8-5-13-27-18/h2-4,6-7,9-12,18-19H,5,8,13-14H2,1H3
InChIKeyKTRHXHKCTSKFGP-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.22
Rot. Bonds6

About N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline

N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline (PubChem CID 654133) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline
PubChem CID654133
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC NameN-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline
SMILESCN(c1ccccc1)C(c1ccc(F)cc1)c1nnnn1CC1CCCO1
InChIInChI=1S/C20H22FN5O/c1-25(17-6-3-2-4-7-17)19(15-9-11-16(21)12-10-15)20-22-23-24-26(20)14-18-8-5-13-27-18/h2-4,6-7,9-12,18-19H,5,8,13-14H2,1H3
InChIKeyKTRHXHKCTSKFGP-UHFFFAOYSA-N
XLogP3.22
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-Chloro-phenyl)-4-{3-methyl-1-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-butyl}-piperazine
CID 644852
1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-4-(3-trifluoromethyl-phenyl)-piperazine
CID 646624
1-(2,3-Dimethyl-phenyl)-4-{phenyl-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-piperazine
CID 647989
4-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-pyrrolidin-1-yl-phenyl)-methyl]-morpholine
CID 648818
1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline
CID 651993
1-Benzyl-4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3209543
1-(2,3-Dimethyl-phenyl)-4-{[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-p-tolyl-methyl}-piperazine
CID 6603075
1-{1-[1-(Oxolan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]pentyl}-4-phenylpiperazine hydrochloride
CID 16192973
(4-{(4-Benzyl-piperazin-1-yl)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-phenyl)-dimethyl-amine
CID 648702
[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-methyl-phenyl-amine
CID 649259
1-{1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-3-methyl-butyl}-4-phenyl-piperazine
CID 3209250
1-{1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-propyl}-4-(3-trifluoromethyl-phenyl)-piperazine
CID 6602667

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline?
The IUPAC name of N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline (CID 654133) is N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline.
What is the SMILES notation for N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline?
The canonical SMILES for N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline is CN(c1ccccc1)C(c1ccc(F)cc1)c1nnnn1CC1CCCO1.
What is the InChIKey of N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline?
The InChIKey is KTRHXHKCTSKFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-25(17-6-3-2-4-7-17)19(15-9-11-16(21)12-10-15)20-22-23-24-26(20)14-18-8-5-13-27-18/h2-4,6-7,9-12,18-19H,5,8,13-14H2,1H3.
What are the key properties of N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline?
N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline has a molecular weight of 367.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-N-methylaniline is sourced from PubChem (CID 654133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).