2-chloro-5-heptyl-1,3,4-oxadiazole

C9H15ClN2O — CID 114770895

IUPAC2-chloro-5-heptyl-1,3,4-oxadiazole
SMILESCCCCCCCc1nnc(Cl)o1
InChIInChI=1S/C9H15ClN2O/c1-2-3-4-5-6-7-8-11-12-9(10)13-8/h2-7H2,1H3
InChIKeyAAHISCPZYBOQDO-UHFFFAOYSA-N
MW202.68 g/mol
LogP3.24
Rot. Bonds6

About 2-chloro-5-heptyl-1,3,4-oxadiazole

2-chloro-5-heptyl-1,3,4-oxadiazole (PubChem CID 114770895) has the molecular formula C9H15ClN2O and a molecular weight of 202.68 g/mol. Its IUPAC name is 2-chloro-5-heptyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-chloro-5-heptyl-1,3,4-oxadiazole
PubChem CID114770895
Molecular FormulaC9H15ClN2O
Molecular Weight202.68 g/mol
Exact Mass202.09
IUPAC Name2-chloro-5-heptyl-1,3,4-oxadiazole
SMILESCCCCCCCc1nnc(Cl)o1
InChIInChI=1S/C9H15ClN2O/c1-2-3-4-5-6-7-8-11-12-9(10)13-8/h2-7H2,1H3
InChIKeyAAHISCPZYBOQDO-UHFFFAOYSA-N
XLogP3.24
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole
CID 65448728
(5-octyl-1,3,4-oxadiazol-2-yl)methanamine
CID 65428930
2-(3-bromopropyl)-5-tridecyl-1,3,4-oxadiazole
CID 86073528
2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 65426417
2-(1-chloroethyl)-5-octyl-1,3,4-oxadiazole
CID 65448540
2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine
CID 62162723
2-chloro-5-(3-ethoxypropyl)-1,3,4-oxadiazole
CID 114771018
2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole
CID 102384865
N-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62137386
N-[(5-nonyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 65427375
methyl 5-undecyl-1,3,4-oxadiazole-2-carboxylate
CID 115960722
N-ethyl-1-(5-octyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 65428734

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-heptyl-1,3,4-oxadiazole?
The IUPAC name of 2-chloro-5-heptyl-1,3,4-oxadiazole (CID 114770895) is 2-chloro-5-heptyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-chloro-5-heptyl-1,3,4-oxadiazole?
The canonical SMILES for 2-chloro-5-heptyl-1,3,4-oxadiazole is CCCCCCCc1nnc(Cl)o1.
What is the InChIKey of 2-chloro-5-heptyl-1,3,4-oxadiazole?
The InChIKey is AAHISCPZYBOQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O/c1-2-3-4-5-6-7-8-11-12-9(10)13-8/h2-7H2,1H3.
What are the key properties of 2-chloro-5-heptyl-1,3,4-oxadiazole?
2-chloro-5-heptyl-1,3,4-oxadiazole has a molecular weight of 202.68 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-heptyl-1,3,4-oxadiazole is sourced from PubChem (CID 114770895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).