4-[2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]tetrazol-5-yl]benzamide

C20H23N5O3 — CID 56684959

IUPAC4-[2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]tetrazol-5-yl]benzamide
SMILESCC(C)c1ccccc1OCC(O)Cn1nnc(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C20H23N5O3/c1-13(2)17-5-3-4-6-18(17)28-12-16(26)11-25-23-20(22-24-25)15-9-7-14(8-10-15)19(21)27/h3-10,13,16,26H,11-12H2,1-2H3,(H2,21,27)
InChIKeyYZKSXKACQIYBSJ-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.00
Rot. Bonds8

About 4-[2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]tetrazol-5-yl]benzamide

4-[2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]tetrazol-5-yl]benzamide (PubChem CID 56684959) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-[2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]tetrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]tetrazol-5-yl]benzamide
PubChem CID56684959
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name4-[2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]tetrazol-5-yl]benzamide
SMILESCC(C)c1ccccc1OCC(O)Cn1nnc(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C20H23N5O3/c1-13(2)17-5-3-4-6-18(17)28-12-16(26)11-25-23-20(22-24-25)15-9-7-14(8-10-15)19(21)27/h3-10,13,16,26H,11-12H2,1-2H3,(H2,21,27)
InChIKeyYZKSXKACQIYBSJ-UHFFFAOYSA-N
XLogP2.00
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]tetrazol-5-yl]benzamide?
The IUPAC name of 4-[2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]tetrazol-5-yl]benzamide (CID 56684959) is 4-[2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]tetrazol-5-yl]benzamide.
What is the SMILES notation for 4-[2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]tetrazol-5-yl]benzamide?
The canonical SMILES for 4-[2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]tetrazol-5-yl]benzamide is CC(C)c1ccccc1OCC(O)Cn1nnc(-c2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]tetrazol-5-yl]benzamide?
The InChIKey is YZKSXKACQIYBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13(2)17-5-3-4-6-18(17)28-12-16(26)11-25-23-20(22-24-25)15-9-7-14(8-10-15)19(21)27/h3-10,13,16,26H,11-12H2,1-2H3,(H2,21,27).
What are the key properties of 4-[2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]tetrazol-5-yl]benzamide?
4-[2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]tetrazol-5-yl]benzamide has a molecular weight of 381.44 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]tetrazol-5-yl]benzamide is sourced from PubChem (CID 56684959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).