4-methoxy-2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]-1,3-dihydroisoindole

C15H19N5O2 — CID 146140991

IUPAC4-methoxy-2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]-1,3-dihydroisoindole
SMILESCOc1cccc2c1CN(c1nnnn1CC1CCOC1)C2
InChIInChI=1S/C15H19N5O2/c1-21-14-4-2-3-12-8-19(9-13(12)14)15-16-17-18-20(15)7-11-5-6-22-10-11/h2-4,11H,5-10H2,1H3
InChIKeyAECRIFQQEVHWIF-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.24
Rot. Bonds4

About 4-methoxy-2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]-1,3-dihydroisoindole

4-methoxy-2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]-1,3-dihydroisoindole (PubChem CID 146140991) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-methoxy-2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name4-methoxy-2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]-1,3-dihydroisoindole
PubChem CID146140991
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name4-methoxy-2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]-1,3-dihydroisoindole
SMILESCOc1cccc2c1CN(c1nnnn1CC1CCOC1)C2
InChIInChI=1S/C15H19N5O2/c1-21-14-4-2-3-12-8-19(9-13(12)14)15-16-17-18-20(15)7-11-5-6-22-10-11/h2-4,11H,5-10H2,1H3
InChIKeyAECRIFQQEVHWIF-UHFFFAOYSA-N
XLogP1.24
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]-1,3-dihydroisoindole?
The IUPAC name of 4-methoxy-2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]-1,3-dihydroisoindole (CID 146140991) is 4-methoxy-2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]-1,3-dihydroisoindole.
What is the SMILES notation for 4-methoxy-2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]-1,3-dihydroisoindole?
The canonical SMILES for 4-methoxy-2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]-1,3-dihydroisoindole is COc1cccc2c1CN(c1nnnn1CC1CCOC1)C2.
What is the InChIKey of 4-methoxy-2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]-1,3-dihydroisoindole?
The InChIKey is AECRIFQQEVHWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-21-14-4-2-3-12-8-19(9-13(12)14)15-16-17-18-20(15)7-11-5-6-22-10-11/h2-4,11H,5-10H2,1H3.
What are the key properties of 4-methoxy-2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]-1,3-dihydroisoindole?
4-methoxy-2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]-1,3-dihydroisoindole has a molecular weight of 301.35 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]-1,3-dihydroisoindole is sourced from PubChem (CID 146140991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).