5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole

C26H28N4O — CID 148712553

IUPAC5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole
SMILESC[C@@H](CC1CCC(c2ccc(OCc3nn[nH]n3)cc2)C1)c1cccc2ccccc12
InChIInChI=1S/C26H28N4O/c1-18(24-8-4-6-21-5-2-3-7-25(21)24)15-19-9-10-22(16-19)20-11-13-23(14-12-20)31-17-26-27-29-30-28-26/h2-8,11-14,18-19,22H,9-10,15-17H2,1H3,(H,27,28,29,30)/t18-,19?,22?/m0/s1
InChIKeyNXMULCVVPVUAEI-PGFLUOATSA-N
MW412.54 g/mol
LogP6.01
Rot. Bonds7

About 5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole

5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole (PubChem CID 148712553) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole
PubChem CID148712553
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole
SMILESC[C@@H](CC1CCC(c2ccc(OCc3nn[nH]n3)cc2)C1)c1cccc2ccccc12
InChIInChI=1S/C26H28N4O/c1-18(24-8-4-6-21-5-2-3-7-25(21)24)15-19-9-10-22(16-19)20-11-13-23(14-12-20)31-17-26-27-29-30-28-26/h2-8,11-14,18-19,22H,9-10,15-17H2,1H3,(H,27,28,29,30)/t18-,19?,22?/m0/s1
InChIKeyNXMULCVVPVUAEI-PGFLUOATSA-N
XLogP6.01
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole with MolForge

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Related Compounds

2-methyl-2-[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]propanoic acid
CID 161070660
carbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene
CID 158857640
5-[3-[(1R,3S)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclohexyl]phenyl]-2H-tetrazole
CID 159923750
4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one
CID 149010744
1-[4-[(1R)-3-[(2S)-2-(4-methylnaphthalen-1-yl)propyl]cyclopentyl]phenoxy]propan-2-one
CID 158711749
2-[2-fluoro-4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]acetic acid
CID 153234852
2-methyl-2-[3-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]propanoic acid
CID 157186963
2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid
CID 147632875
4-[(2S)-1-[(3R)-3-(4-methylsulfonylphenyl)cyclopentyl]propan-2-yl]quinoline
CID 157330811
formic acid;2-[4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]ethanol
CID 159697222
5-(4-ethoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]-2-propylcyclohexan-1-amine
CID 59617291
N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine
CID 46181107

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole?
The IUPAC name of 5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole (CID 148712553) is 5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole.
What is the SMILES notation for 5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole?
The canonical SMILES for 5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole is C[C@@H](CC1CCC(c2ccc(OCc3nn[nH]n3)cc2)C1)c1cccc2ccccc12.
What is the InChIKey of 5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole?
The InChIKey is NXMULCVVPVUAEI-PGFLUOATSA-N. The full InChI is InChI=1S/C26H28N4O/c1-18(24-8-4-6-21-5-2-3-7-25(21)24)15-19-9-10-22(16-19)20-11-13-23(14-12-20)31-17-26-27-29-30-28-26/h2-8,11-14,18-19,22H,9-10,15-17H2,1H3,(H,27,28,29,30)/t18-,19?,22?/m0/s1.
What are the key properties of 5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole?
5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole has a molecular weight of 412.54 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole is sourced from PubChem (CID 148712553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).