2-(2-bromophenyl)-5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole

C14H9BrClN3OS — CID 30765253

IUPAC2-(2-bromophenyl)-5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESClc1cccnc1SCc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C14H9BrClN3OS/c15-10-5-2-1-4-9(10)13-19-18-12(20-13)8-21-14-11(16)6-3-7-17-14/h1-7H,8H2
InChIKeyDVECPCCETMBPKY-UHFFFAOYSA-N
MW382.67 g/mol
LogP4.84
Rot. Bonds4

About 2-(2-bromophenyl)-5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole

2-(2-bromophenyl)-5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 30765253) has the molecular formula C14H9BrClN3OS and a molecular weight of 382.67 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID30765253
Molecular FormulaC14H9BrClN3OS
Molecular Weight382.67 g/mol
Exact Mass380.93
IUPAC Name2-(2-bromophenyl)-5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESClc1cccnc1SCc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C14H9BrClN3OS/c15-10-5-2-1-4-9(10)13-19-18-12(20-13)8-21-14-11(16)6-3-7-17-14/h1-7H,8H2
InChIKeyDVECPCCETMBPKY-UHFFFAOYSA-N
XLogP4.84
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.67
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]aniline
CID 43249000
2-(2-bromophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 8706404
2-(2-bromophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 2532092
2-(2-bromophenyl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 29183417
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-chloroaniline
CID 43236759
2-(2-bromophenyl)-5-[2-(4-chlorophenoxy)ethylsulfanylmethyl]-1,3,4-oxadiazole
CID 78834064
[5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629754
2-(2-chlorophenyl)-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 34246919
5-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 2501661
2-(2-bromophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 2606732
3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine
CID 47152859
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-2-amine
CID 66229712

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromophenyl)-5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole (CID 30765253) is 2-(2-bromophenyl)-5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromophenyl)-5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromophenyl)-5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole is Clc1cccnc1SCc1nnc(-c2ccccc2Br)o1.
What is the InChIKey of 2-(2-bromophenyl)-5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is DVECPCCETMBPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3OS/c15-10-5-2-1-4-9(10)13-19-18-12(20-13)8-21-14-11(16)6-3-7-17-14/h1-7H,8H2.
What are the key properties of 2-(2-bromophenyl)-5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole?
2-(2-bromophenyl)-5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 382.67 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 30765253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).