5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[4-(2H-tetrazol-5-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2-oxazole

C26H22Cl2N6O — CID 142582337

IUPAC5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[4-(2H-tetrazol-5-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2-oxazole
SMILESClc1cccc(Cl)c1-c1noc(C2CC2)c1/C=C/C1C2CN(c3ccc(-c4nn[nH]n4)cc3)CC12
InChIInChI=1S/C26H22Cl2N6O/c27-21-2-1-3-22(28)23(21)24-18(25(35-31-24)14-4-5-14)11-10-17-19-12-34(13-20(17)19)16-8-6-15(7-9-16)26-29-32-33-30-26/h1-3,6-11,14,17,19-20H,4-5,12-13H2,(H,29,30,32,33)/b11-10+
InChIKeyGCBNEBDQKOCIGE-ZHACJKMWSA-N
MW505.41 g/mol
LogP6.10
Rot. Bonds6

About 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[4-(2H-tetrazol-5-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2-oxazole

5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[4-(2H-tetrazol-5-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2-oxazole (PubChem CID 142582337) has the molecular formula C26H22Cl2N6O and a molecular weight of 505.41 g/mol. Its IUPAC name is 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[4-(2H-tetrazol-5-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[4-(2H-tetrazol-5-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2-oxazole
PubChem CID142582337
Molecular FormulaC26H22Cl2N6O
Molecular Weight505.41 g/mol
Exact Mass504.12
IUPAC Name5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[4-(2H-tetrazol-5-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2-oxazole
SMILESClc1cccc(Cl)c1-c1noc(C2CC2)c1/C=C/C1C2CN(c3ccc(-c4nn[nH]n4)cc3)CC12
InChIInChI=1S/C26H22Cl2N6O/c27-21-2-1-3-22(28)23(21)24-18(25(35-31-24)14-4-5-14)11-10-17-19-12-34(13-20(17)19)16-8-6-15(7-9-16)26-29-32-33-30-26/h1-3,6-11,14,17,19-20H,4-5,12-13H2,(H,29,30,32,33)/b11-10+
InChIKeyGCBNEBDQKOCIGE-ZHACJKMWSA-N
XLogP6.10
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.41
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[4-(2H-tetrazol-5-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[4-(2H-tetrazol-5-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[4-(2H-tetrazol-5-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2-oxazole (CID 142582337) is 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[4-(2H-tetrazol-5-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[4-(2H-tetrazol-5-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[4-(2H-tetrazol-5-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2-oxazole is Clc1cccc(Cl)c1-c1noc(C2CC2)c1/C=C/C1C2CN(c3ccc(-c4nn[nH]n4)cc3)CC12.
What is the InChIKey of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[4-(2H-tetrazol-5-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2-oxazole?
The InChIKey is GCBNEBDQKOCIGE-ZHACJKMWSA-N. The full InChI is InChI=1S/C26H22Cl2N6O/c27-21-2-1-3-22(28)23(21)24-18(25(35-31-24)14-4-5-14)11-10-17-19-12-34(13-20(17)19)16-8-6-15(7-9-16)26-29-32-33-30-26/h1-3,6-11,14,17,19-20H,4-5,12-13H2,(H,29,30,32,33)/b11-10+.
What are the key properties of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[4-(2H-tetrazol-5-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2-oxazole?
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[4-(2H-tetrazol-5-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2-oxazole has a molecular weight of 505.41 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[4-(2H-tetrazol-5-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-1,2-oxazole is sourced from PubChem (CID 142582337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).