[(4S)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-yl]-methylazanium

C15H22N5O+ — CID 7530341

IUPAC[(4S)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-yl]-methylazanium
SMILESC[NH2+][C@@]1(c2nnnn2-c2ccccc2)CCOC(C)(C)C1
InChIInChI=1S/C15H21N5O/c1-14(2)11-15(16-3,9-10-21-14)13-17-18-19-20(13)12-7-5-4-6-8-12/h4-8,16H,9-11H2,1-3H3/p+1/t15-/m0/s1
InChIKeyAYFZWHGTBVLBLC-HNNXBMFYSA-O
MW288.37 g/mol
LogP0.64
Rot. Bonds3

About [(4S)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-yl]-methylazanium

[(4S)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-yl]-methylazanium (PubChem CID 7530341) has the molecular formula C15H22N5O+ and a molecular weight of 288.37 g/mol. Its IUPAC name is [(4S)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-yl]-methylazanium.

Molecular Properties

Compound Name[(4S)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-yl]-methylazanium
PubChem CID7530341
Molecular FormulaC15H22N5O+
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name[(4S)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-yl]-methylazanium
SMILESC[NH2+][C@@]1(c2nnnn2-c2ccccc2)CCOC(C)(C)C1
InChIInChI=1S/C15H21N5O/c1-14(2)11-15(16-3,9-10-21-14)13-17-18-19-20(13)12-7-5-4-6-8-12/h4-8,16H,9-11H2,1-3H3/p+1/t15-/m0/s1
InChIKeyAYFZWHGTBVLBLC-HNNXBMFYSA-O
XLogP0.64
TPSA69.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(4S)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-yl]-methylazanium?
The IUPAC name of [(4S)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-yl]-methylazanium (CID 7530341) is [(4S)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-yl]-methylazanium.
What is the SMILES notation for [(4S)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-yl]-methylazanium?
The canonical SMILES for [(4S)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-yl]-methylazanium is C[NH2+][C@@]1(c2nnnn2-c2ccccc2)CCOC(C)(C)C1.
What is the InChIKey of [(4S)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-yl]-methylazanium?
The InChIKey is AYFZWHGTBVLBLC-HNNXBMFYSA-O. The full InChI is InChI=1S/C15H21N5O/c1-14(2)11-15(16-3,9-10-21-14)13-17-18-19-20(13)12-7-5-4-6-8-12/h4-8,16H,9-11H2,1-3H3/p+1/t15-/m0/s1.
What are the key properties of [(4S)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-yl]-methylazanium?
[(4S)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-yl]-methylazanium has a molecular weight of 288.37 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-yl]-methylazanium is sourced from PubChem (CID 7530341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).