5-(4-chlorophenyl)-2-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole

C17H12ClN5O2 — CID 17398436

IUPAC5-(4-chlorophenyl)-2-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole
SMILESClc1ccc(-c2cnc(COc3ccc(-n4cnnn4)cc3)o2)cc1
InChIInChI=1S/C17H12ClN5O2/c18-13-3-1-12(2-4-13)16-9-19-17(25-16)10-24-15-7-5-14(6-8-15)23-11-20-21-22-23/h1-9,11H,10H2
InChIKeyGJRKKPBGXUQQOP-UHFFFAOYSA-N
MW353.77 g/mol
LogP3.55
Rot. Bonds5

About 5-(4-chlorophenyl)-2-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole

5-(4-chlorophenyl)-2-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole (PubChem CID 17398436) has the molecular formula C17H12ClN5O2 and a molecular weight of 353.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole
PubChem CID17398436
Molecular FormulaC17H12ClN5O2
Molecular Weight353.77 g/mol
Exact Mass353.07
IUPAC Name5-(4-chlorophenyl)-2-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole
SMILESClc1ccc(-c2cnc(COc3ccc(-n4cnnn4)cc3)o2)cc1
InChIInChI=1S/C17H12ClN5O2/c18-13-3-1-12(2-4-13)16-9-19-17(25-16)10-24-15-7-5-14(6-8-15)23-11-20-21-22-23/h1-9,11H,10H2
InChIKeyGJRKKPBGXUQQOP-UHFFFAOYSA-N
XLogP3.55
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide
CID 9356011
4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzaldehyde
CID 29420744
1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole
CID 7697447
5-[[4-(tetrazol-1-yl)phenoxy]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 55529889
1-[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]tetrazole
CID 46814565
2-[(6-chlorobenzotriazol-1-yl)oxymethyl]-5-(4-chlorophenyl)-1,3-oxazole
CID 9354749
5-(4-chlorophenyl)-2-[[3-[(S)-methylsulfinyl]-1,2,4-triazol-4-yl]methyl]-1,3-oxazole
CID 96525729
2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine
CID 16764721
5-(4-chlorophenyl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole
CID 9354227
2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole
CID 24961512
1-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]tetrazole
CID 18079355
2-[4-(tetrazol-1-yl)phenoxy]acetonitrile
CID 8566130

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole?
The IUPAC name of 5-(4-chlorophenyl)-2-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole (CID 17398436) is 5-(4-chlorophenyl)-2-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole is Clc1ccc(-c2cnc(COc3ccc(-n4cnnn4)cc3)o2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole?
The InChIKey is GJRKKPBGXUQQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O2/c18-13-3-1-12(2-4-13)16-9-19-17(25-16)10-24-15-7-5-14(6-8-15)23-11-20-21-22-23/h1-9,11H,10H2.
What are the key properties of 5-(4-chlorophenyl)-2-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole?
5-(4-chlorophenyl)-2-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole has a molecular weight of 353.77 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole is sourced from PubChem (CID 17398436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).