5-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenyltetrazole

C15H21N5O2 — CID 128982309

IUPAC5-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenyltetrazole
SMILESCOC[C@@H]1C[C@H](OC)CN1Cc1nnnn1-c1ccccc1
InChIInChI=1S/C15H21N5O2/c1-21-11-13-8-14(22-2)9-19(13)10-15-16-17-18-20(15)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyLMFGFGMCLIWOSC-KBPBESRZSA-N
MW303.37 g/mol
LogP0.90
Rot. Bonds6

About 5-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenyltetrazole

5-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenyltetrazole (PubChem CID 128982309) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenyltetrazole
PubChem CID128982309
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name5-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenyltetrazole
SMILESCOC[C@@H]1C[C@H](OC)CN1Cc1nnnn1-c1ccccc1
InChIInChI=1S/C15H21N5O2/c1-21-11-13-8-14(22-2)9-19(13)10-15-16-17-18-20(15)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyLMFGFGMCLIWOSC-KBPBESRZSA-N
XLogP0.90
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenyltetrazole?
The IUPAC name of 5-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenyltetrazole (CID 128982309) is 5-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenyltetrazole?
The canonical SMILES for 5-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenyltetrazole is COC[C@@H]1C[C@H](OC)CN1Cc1nnnn1-c1ccccc1.
What is the InChIKey of 5-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenyltetrazole?
The InChIKey is LMFGFGMCLIWOSC-KBPBESRZSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-21-11-13-8-14(22-2)9-19(13)10-15-16-17-18-20(15)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of 5-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenyltetrazole?
5-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenyltetrazole has a molecular weight of 303.37 g/mol, XLogP of 0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenyltetrazole is sourced from PubChem (CID 128982309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).