5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-5-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole

C24H22Cl2N4O — CID 175830041

IUPAC5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-5-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole
SMILESClc1cccc(Cl)c1-c1noc(C2CC2)c1C1=CC2(CCN(c3cncnc3)CC2)C1
InChIInChI=1S/C24H22Cl2N4O/c25-18-2-1-3-19(26)21(18)22-20(23(31-29-22)15-4-5-15)16-10-24(11-16)6-8-30(9-7-24)17-12-27-14-28-13-17/h1-3,10,12-15H,4-9,11H2
InChIKeyOQVCJCOBVKMOAY-UHFFFAOYSA-N
MW453.37 g/mol
LogP6.39
Rot. Bonds4

About 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-5-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole

5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-5-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole (PubChem CID 175830041) has the molecular formula C24H22Cl2N4O and a molecular weight of 453.37 g/mol. Its IUPAC name is 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-5-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-5-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole
PubChem CID175830041
Molecular FormulaC24H22Cl2N4O
Molecular Weight453.37 g/mol
Exact Mass452.12
IUPAC Name5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-5-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole
SMILESClc1cccc(Cl)c1-c1noc(C2CC2)c1C1=CC2(CCN(c3cncnc3)CC2)C1
InChIInChI=1S/C24H22Cl2N4O/c25-18-2-1-3-19(26)21(18)22-20(23(31-29-22)15-4-5-15)16-10-24(11-16)6-8-30(9-7-24)17-12-27-14-28-13-17/h1-3,10,12-15H,4-9,11H2
InChIKeyOQVCJCOBVKMOAY-UHFFFAOYSA-N
XLogP6.39
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.37
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole
CID 175830182
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(3-methylisoquinolin-7-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane
CID 142582484
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(4-methylpyrimidin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 175829979
6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-methylpyridine-3-carboxylic acid
CID 138592211
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 175830029
5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-(7-quinolin-6-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole
CID 175830003
4-(7-cinnolin-7-yl-7-azaspiro[3.5]non-2-en-2-yl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole
CID 175830066
2-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid
CID 138592275
6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 138591792
5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 142582553
5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-[7-(4-propan-2-yloxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 175830128
3-(2-chloro-6-methylphenyl)-5-cyclopropyl-4-[7-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 142582527

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-5-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-5-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole (CID 175830041) is 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-5-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-5-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-5-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole is Clc1cccc(Cl)c1-c1noc(C2CC2)c1C1=CC2(CCN(c3cncnc3)CC2)C1.
What is the InChIKey of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-5-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole?
The InChIKey is OQVCJCOBVKMOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O/c25-18-2-1-3-19(26)21(18)22-20(23(31-29-22)15-4-5-15)16-10-24(11-16)6-8-30(9-7-24)17-12-27-14-28-13-17/h1-3,10,12-15H,4-9,11H2.
What are the key properties of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-5-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole?
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-5-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole has a molecular weight of 453.37 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-5-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole is sourced from PubChem (CID 175830041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).