[(2S,5S)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-1-propan-2-ylpyrrolidin-2-yl]methanol

C16H23N5O2 — CID 172883867

IUPAC[(2S,5S)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-1-propan-2-ylpyrrolidin-2-yl]methanol
SMILESCOc1ccc(-n2nnnc2[C@@H]2CC[C@@H](CO)N2C(C)C)cc1
InChIInChI=1S/C16H23N5O2/c1-11(2)20-13(10-22)6-9-15(20)16-17-18-19-21(16)12-4-7-14(23-3)8-5-12/h4-5,7-8,11,13,15,22H,6,9-10H2,1-3H3/t13-,15-/m0/s1
InChIKeyVGOWVYGWSBTKLQ-ZFWWWQNUSA-N
MW317.39 g/mol
LogP1.58
Rot. Bonds5

About [(2S,5S)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-1-propan-2-ylpyrrolidin-2-yl]methanol

[(2S,5S)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-1-propan-2-ylpyrrolidin-2-yl]methanol (PubChem CID 172883867) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is [(2S,5S)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-1-propan-2-ylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-1-propan-2-ylpyrrolidin-2-yl]methanol
PubChem CID172883867
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name[(2S,5S)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-1-propan-2-ylpyrrolidin-2-yl]methanol
SMILESCOc1ccc(-n2nnnc2[C@@H]2CC[C@@H](CO)N2C(C)C)cc1
InChIInChI=1S/C16H23N5O2/c1-11(2)20-13(10-22)6-9-15(20)16-17-18-19-21(16)12-4-7-14(23-3)8-5-12/h4-5,7-8,11,13,15,22H,6,9-10H2,1-3H3/t13-,15-/m0/s1
InChIKeyVGOWVYGWSBTKLQ-ZFWWWQNUSA-N
XLogP1.58
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-1-propan-2-ylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,5S)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-1-propan-2-ylpyrrolidin-2-yl]methanol (CID 172883867) is [(2S,5S)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-1-propan-2-ylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-1-propan-2-ylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,5S)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-1-propan-2-ylpyrrolidin-2-yl]methanol is COc1ccc(-n2nnnc2[C@@H]2CC[C@@H](CO)N2C(C)C)cc1.
What is the InChIKey of [(2S,5S)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-1-propan-2-ylpyrrolidin-2-yl]methanol?
The InChIKey is VGOWVYGWSBTKLQ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11(2)20-13(10-22)6-9-15(20)16-17-18-19-21(16)12-4-7-14(23-3)8-5-12/h4-5,7-8,11,13,15,22H,6,9-10H2,1-3H3/t13-,15-/m0/s1.
What are the key properties of [(2S,5S)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-1-propan-2-ylpyrrolidin-2-yl]methanol?
[(2S,5S)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-1-propan-2-ylpyrrolidin-2-yl]methanol has a molecular weight of 317.39 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-1-propan-2-ylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 172883867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).