5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C14H9ClN6OS — CID 17467879

IUPAC5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESClc1ccc(-c2nnn(Cc3nc(-c4cccs4)no3)n2)cc1
InChIInChI=1S/C14H9ClN6OS/c15-10-5-3-9(4-6-10)13-17-20-21(18-13)8-12-16-14(19-22-12)11-2-1-7-23-11/h1-7H,8H2
InChIKeyFMVVFXNRNDPSHS-UHFFFAOYSA-N
MW344.79 g/mol
LogP3.15
Rot. Bonds4

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

5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 17467879) has the molecular formula C14H9ClN6OS and a molecular weight of 344.79 g/mol. Its IUPAC name is 5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID17467879
Molecular FormulaC14H9ClN6OS
Molecular Weight344.79 g/mol
Exact Mass344.02
IUPAC Name5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESClc1ccc(-c2nnn(Cc3nc(-c4cccs4)no3)n2)cc1
InChIInChI=1S/C14H9ClN6OS/c15-10-5-3-9(4-6-10)13-17-20-21(18-13)8-12-16-14(19-22-12)11-2-1-7-23-11/h1-7H,8H2
InChIKeyFMVVFXNRNDPSHS-UHFFFAOYSA-N
XLogP3.15
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.79
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(4-chlorophenyl)-5-[[5-(3-methoxyphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 17497344
3-(3-chlorophenyl)-5-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 17490289
3-thiophen-2-yl-5-[3-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propyl]-1,2,4-oxadiazole
CID 55409485
1-[5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852033
3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8643011
3-(4-chlorophenyl)-5-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 1007733
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-bis(thiophen-2-ylmethyl)azanium
CID 8801280
5-propan-2-yl-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole
CID 97019005
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 24610082
5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 141467458
4-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]butan-1-amine
CID 104539212
2-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]acetic acid
CID 107461289

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 17467879) is 5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is Clc1ccc(-c2nnn(Cc3nc(-c4cccs4)no3)n2)cc1.
What is the InChIKey of 5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is FMVVFXNRNDPSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN6OS/c15-10-5-3-9(4-6-10)13-17-20-21(18-13)8-12-16-14(19-22-12)11-2-1-7-23-11/h1-7H,8H2.
What are the key properties of 5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 344.79 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 17467879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).