5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-chloro-1,2,4-oxadiazole

C13H11ClN2O — CID 112572030

IUPAC5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-chloro-1,2,4-oxadiazole
SMILESClc1noc(C2C3CCc4ccccc4C32)n1
InChIInChI=1S/C13H11ClN2O/c14-13-15-12(17-16-13)11-9-6-5-7-3-1-2-4-8(7)10(9)11/h1-4,9-11H,5-6H2
InChIKeyCCICPTYACQINQX-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.17
Rot. Bonds1

About 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-chloro-1,2,4-oxadiazole

5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-chloro-1,2,4-oxadiazole (PubChem CID 112572030) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-chloro-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-chloro-1,2,4-oxadiazole
PubChem CID112572030
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-chloro-1,2,4-oxadiazole
SMILESClc1noc(C2C3CCc4ccccc4C32)n1
InChIInChI=1S/C13H11ClN2O/c14-13-15-12(17-16-13)11-9-6-5-7-3-1-2-4-8(7)10(9)11/h1-4,9-11H,5-6H2
InChIKeyCCICPTYACQINQX-UHFFFAOYSA-N
XLogP3.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-chloro-1,2,4-oxadiazole with MolForge

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Related Compounds

2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole
CID 114771019
4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine
CID 10443504
4-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1,3-thiazol-2-amine
CID 112562111
(1R,10S,11R,15S)-13-phenyl-13-azatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6-triene-12,14-dione
CID 164667716
2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-6-amino-1H-1,3,5-triazine-4-thione
CID 83241113
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-cyclopropyl-1,2,4-triazole
CID 115394153
3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
CID 112572113
1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
CID 132609163
4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65408791
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1,2,4-triazole
CID 115394710
3-(chloromethyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole
CID 55111257
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine
CID 115779942

Frequently Asked Questions

What is the IUPAC name of 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-chloro-1,2,4-oxadiazole?
The IUPAC name of 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-chloro-1,2,4-oxadiazole (CID 112572030) is 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-chloro-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-chloro-1,2,4-oxadiazole?
The canonical SMILES for 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-chloro-1,2,4-oxadiazole is Clc1noc(C2C3CCc4ccccc4C32)n1.
What is the InChIKey of 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-chloro-1,2,4-oxadiazole?
The InChIKey is CCICPTYACQINQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-13-15-12(17-16-13)11-9-6-5-7-3-1-2-4-8(7)10(9)11/h1-4,9-11H,5-6H2.
What are the key properties of 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-chloro-1,2,4-oxadiazole?
5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-chloro-1,2,4-oxadiazole has a molecular weight of 246.70 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-chloro-1,2,4-oxadiazole is sourced from PubChem (CID 112572030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).