1-[[(3S)-oxolan-3-yl]methyl]-5-(3-phenylpropyl)tetrazole

C15H20N4O — CID 96563463

IUPAC1-[[(3S)-oxolan-3-yl]methyl]-5-(3-phenylpropyl)tetrazole
SMILESc1ccc(CCCc2nnnn2C[C@@H]2CCOC2)cc1
InChIInChI=1S/C15H20N4O/c1-2-5-13(6-3-1)7-4-8-15-16-17-18-19(15)11-14-9-10-20-12-14/h1-3,5-6,14H,4,7-12H2/t14-/m0/s1
InChIKeyWAHJXWSFKXNXOE-AWEZNQCLSA-N
MW272.35 g/mol
LogP1.88
Rot. Bonds6

About 1-[[(3S)-oxolan-3-yl]methyl]-5-(3-phenylpropyl)tetrazole

1-[[(3S)-oxolan-3-yl]methyl]-5-(3-phenylpropyl)tetrazole (PubChem CID 96563463) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[[(3S)-oxolan-3-yl]methyl]-5-(3-phenylpropyl)tetrazole.

Molecular Properties

Compound Name1-[[(3S)-oxolan-3-yl]methyl]-5-(3-phenylpropyl)tetrazole
PubChem CID96563463
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[[(3S)-oxolan-3-yl]methyl]-5-(3-phenylpropyl)tetrazole
SMILESc1ccc(CCCc2nnnn2C[C@@H]2CCOC2)cc1
InChIInChI=1S/C15H20N4O/c1-2-5-13(6-3-1)7-4-8-15-16-17-18-19(15)11-14-9-10-20-12-14/h1-3,5-6,14H,4,7-12H2/t14-/m0/s1
InChIKeyWAHJXWSFKXNXOE-AWEZNQCLSA-N
XLogP1.88
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-oxolan-3-yl]methyl]-5-(3-phenylpropyl)tetrazole?
The IUPAC name of 1-[[(3S)-oxolan-3-yl]methyl]-5-(3-phenylpropyl)tetrazole (CID 96563463) is 1-[[(3S)-oxolan-3-yl]methyl]-5-(3-phenylpropyl)tetrazole.
What is the SMILES notation for 1-[[(3S)-oxolan-3-yl]methyl]-5-(3-phenylpropyl)tetrazole?
The canonical SMILES for 1-[[(3S)-oxolan-3-yl]methyl]-5-(3-phenylpropyl)tetrazole is c1ccc(CCCc2nnnn2C[C@@H]2CCOC2)cc1.
What is the InChIKey of 1-[[(3S)-oxolan-3-yl]methyl]-5-(3-phenylpropyl)tetrazole?
The InChIKey is WAHJXWSFKXNXOE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-5-13(6-3-1)7-4-8-15-16-17-18-19(15)11-14-9-10-20-12-14/h1-3,5-6,14H,4,7-12H2/t14-/m0/s1.
What are the key properties of 1-[[(3S)-oxolan-3-yl]methyl]-5-(3-phenylpropyl)tetrazole?
1-[[(3S)-oxolan-3-yl]methyl]-5-(3-phenylpropyl)tetrazole has a molecular weight of 272.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-oxolan-3-yl]methyl]-5-(3-phenylpropyl)tetrazole is sourced from PubChem (CID 96563463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).