5-methyl-2-phenyl-4-[[2-(5-propyltetrazol-1-yl)-1-benzofuran-6-yl]oxymethyl]-1,3-oxazole

C23H21N5O3 — CID 67664064

IUPAC5-methyl-2-phenyl-4-[[2-(5-propyltetrazol-1-yl)-1-benzofuran-6-yl]oxymethyl]-1,3-oxazole
SMILESCCCc1nnnn1-c1cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2o1
InChIInChI=1S/C23H21N5O3/c1-3-7-21-25-26-27-28(21)22-12-17-10-11-18(13-20(17)31-22)29-14-19-15(2)30-23(24-19)16-8-5-4-6-9-16/h4-6,8-13H,3,7,14H2,1-2H3
InChIKeyPGSXISYLOVGCAO-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.90
Rot. Bonds7

About 5-methyl-2-phenyl-4-[[2-(5-propyltetrazol-1-yl)-1-benzofuran-6-yl]oxymethyl]-1,3-oxazole

5-methyl-2-phenyl-4-[[2-(5-propyltetrazol-1-yl)-1-benzofuran-6-yl]oxymethyl]-1,3-oxazole (PubChem CID 67664064) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4-[[2-(5-propyltetrazol-1-yl)-1-benzofuran-6-yl]oxymethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-phenyl-4-[[2-(5-propyltetrazol-1-yl)-1-benzofuran-6-yl]oxymethyl]-1,3-oxazole
PubChem CID67664064
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name5-methyl-2-phenyl-4-[[2-(5-propyltetrazol-1-yl)-1-benzofuran-6-yl]oxymethyl]-1,3-oxazole
SMILESCCCc1nnnn1-c1cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2o1
InChIInChI=1S/C23H21N5O3/c1-3-7-21-25-26-27-28(21)22-12-17-10-11-18(13-20(17)31-22)29-14-19-15(2)30-23(24-19)16-8-5-4-6-9-16/h4-6,8-13H,3,7,14H2,1-2H3
InChIKeyPGSXISYLOVGCAO-UHFFFAOYSA-N
XLogP4.90
TPSA92.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-methyl-2-phenyl-4-[[2-(5-propyltetrazol-1-yl)-1-benzofuran-6-yl]oxymethyl]-1,3-oxazole with MolForge

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Related Compounds

(E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-en-1-ol
CID 139705393
ethyl (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-enoate
CID 19694380
5-[3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]propyl]-1,3-oxazolidine-2,4-dione
CID 70282530
[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 11140977
5-methyl-2-phenyl-4-[[4-[5-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]-1,3-oxazole
CID 11761244
5-methyl-2-phenyl-4-[[3-[3-(2H-tetrazol-5-yl)propyl]-2-benzofuran-5-yl]oxymethyl]-1,3-oxazole
CID 70283586
(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanamine
CID 142052737
5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
CID 23402836
[3-ethoxy-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 69427333
5-methyl-4-[(3-nitroquinolin-7-yl)oxymethyl]-2-phenyl-1,3-oxazole
CID 21469326
(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal
CID 10980111
3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]prop-2-enoic acid
CID 70283163

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-4-[[2-(5-propyltetrazol-1-yl)-1-benzofuran-6-yl]oxymethyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-phenyl-4-[[2-(5-propyltetrazol-1-yl)-1-benzofuran-6-yl]oxymethyl]-1,3-oxazole (CID 67664064) is 5-methyl-2-phenyl-4-[[2-(5-propyltetrazol-1-yl)-1-benzofuran-6-yl]oxymethyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-phenyl-4-[[2-(5-propyltetrazol-1-yl)-1-benzofuran-6-yl]oxymethyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-phenyl-4-[[2-(5-propyltetrazol-1-yl)-1-benzofuran-6-yl]oxymethyl]-1,3-oxazole is CCCc1nnnn1-c1cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2o1.
What is the InChIKey of 5-methyl-2-phenyl-4-[[2-(5-propyltetrazol-1-yl)-1-benzofuran-6-yl]oxymethyl]-1,3-oxazole?
The InChIKey is PGSXISYLOVGCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-3-7-21-25-26-27-28(21)22-12-17-10-11-18(13-20(17)31-22)29-14-19-15(2)30-23(24-19)16-8-5-4-6-9-16/h4-6,8-13H,3,7,14H2,1-2H3.
What are the key properties of 5-methyl-2-phenyl-4-[[2-(5-propyltetrazol-1-yl)-1-benzofuran-6-yl]oxymethyl]-1,3-oxazole?
5-methyl-2-phenyl-4-[[2-(5-propyltetrazol-1-yl)-1-benzofuran-6-yl]oxymethyl]-1,3-oxazole has a molecular weight of 415.45 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-4-[[2-(5-propyltetrazol-1-yl)-1-benzofuran-6-yl]oxymethyl]-1,3-oxazole is sourced from PubChem (CID 67664064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).