furan-2-yl-[4-[(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-1-yl]methanone

C21H26N6O3 — CID 24792421

IUPACfuran-2-yl-[4-[(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(c2nnnn2C(C)C)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C21H26N6O3/c1-15(2)27-20(22-23-24-27)19(16-6-8-17(29-3)9-7-16)25-10-12-26(13-11-25)21(28)18-5-4-14-30-18/h4-9,14-15,19H,10-13H2,1-3H3
InChIKeyNJBDVUJUGLZWOD-UHFFFAOYSA-N
MW410.48 g/mol
LogP2.40
Rot. Bonds6

About furan-2-yl-[4-[(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 24792421) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is furan-2-yl-[4-[(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-1-yl]methanone
PubChem CID24792421
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Namefuran-2-yl-[4-[(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(c2nnnn2C(C)C)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C21H26N6O3/c1-15(2)27-20(22-23-24-27)19(16-6-8-17(29-3)9-7-16)25-10-12-26(13-11-25)21(28)18-5-4-14-30-18/h4-9,14-15,19H,10-13H2,1-3H3
InChIKeyNJBDVUJUGLZWOD-UHFFFAOYSA-N
XLogP2.40
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-1-yl]methanone (CID 24792421) is furan-2-yl-[4-[(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-1-yl]methanone is COc1ccc(C(c2nnnn2C(C)C)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of furan-2-yl-[4-[(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is NJBDVUJUGLZWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-15(2)27-20(22-23-24-27)19(16-6-8-17(29-3)9-7-16)25-10-12-26(13-11-25)21(28)18-5-4-14-30-18/h4-9,14-15,19H,10-13H2,1-3H3.
What are the key properties of furan-2-yl-[4-[(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 410.48 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 24792421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).