(2R)-1-[5-(furan-2-yl)tetrazol-2-yl]-3-propan-2-yloxypropan-2-ol

C11H16N4O3 — CID 124614806

IUPAC(2R)-1-[5-(furan-2-yl)tetrazol-2-yl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@H](O)Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C11H16N4O3/c1-8(2)18-7-9(16)6-15-13-11(12-14-15)10-4-3-5-17-10/h3-5,8-9,16H,6-7H2,1-2H3/t9-/m1/s1
InChIKeyADSPTJXZRAXUHO-SECBINFHSA-N
MW252.27 g/mol
LogP0.72
Rot. Bonds6

About (2R)-1-[5-(furan-2-yl)tetrazol-2-yl]-3-propan-2-yloxypropan-2-ol

(2R)-1-[5-(furan-2-yl)tetrazol-2-yl]-3-propan-2-yloxypropan-2-ol (PubChem CID 124614806) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2R)-1-[5-(furan-2-yl)tetrazol-2-yl]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[5-(furan-2-yl)tetrazol-2-yl]-3-propan-2-yloxypropan-2-ol
PubChem CID124614806
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name(2R)-1-[5-(furan-2-yl)tetrazol-2-yl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@H](O)Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C11H16N4O3/c1-8(2)18-7-9(16)6-15-13-11(12-14-15)10-4-3-5-17-10/h3-5,8-9,16H,6-7H2,1-2H3/t9-/m1/s1
InChIKeyADSPTJXZRAXUHO-SECBINFHSA-N
XLogP0.72
TPSA86.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103876911
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771124
1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine
CID 62566253
1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 51094188
(2R)-1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94817374
2-[5-(furan-2-yl)tetrazol-2-yl]acetaldehyde
CID 62025655
4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid
CID 80537343
2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid
CID 81084981
4-[2-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 30749496
N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]propan-1-amine
CID 62566798
2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide
CID 39998075
2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic acid
CID 103224370

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[5-(furan-2-yl)tetrazol-2-yl]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-[5-(furan-2-yl)tetrazol-2-yl]-3-propan-2-yloxypropan-2-ol (CID 124614806) is (2R)-1-[5-(furan-2-yl)tetrazol-2-yl]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-[5-(furan-2-yl)tetrazol-2-yl]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-[5-(furan-2-yl)tetrazol-2-yl]-3-propan-2-yloxypropan-2-ol is CC(C)OC[C@H](O)Cn1nnc(-c2ccco2)n1.
What is the InChIKey of (2R)-1-[5-(furan-2-yl)tetrazol-2-yl]-3-propan-2-yloxypropan-2-ol?
The InChIKey is ADSPTJXZRAXUHO-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-8(2)18-7-9(16)6-15-13-11(12-14-15)10-4-3-5-17-10/h3-5,8-9,16H,6-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-1-[5-(furan-2-yl)tetrazol-2-yl]-3-propan-2-yloxypropan-2-ol?
(2R)-1-[5-(furan-2-yl)tetrazol-2-yl]-3-propan-2-yloxypropan-2-ol has a molecular weight of 252.27 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[5-(furan-2-yl)tetrazol-2-yl]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 124614806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).